3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C225H153N3 — CID 159608406

IUPAC3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc2c(c1)-c1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5ccc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1C21CCCCC1.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5ccc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc1C21CCCCC1.c1ccc2c(c1)-c1cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5ccc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c1C21CCCCC1
InChIInChI=1S/3C75H51N/c1-16-41-74(42-17-1)66-30-12-8-27-59(66)61-29-18-34-71(73(61)74)76(50-39-40-56-54-23-5-4-21-52(54)53-22-6-7-24-55(53)64(56)44-50)72-46-70-65(45-63(72)49-38-37-48-36-35-47-19-2-3-20-51(47)62(48)43-49)60-28-11-15-33-69(60)75(70)67-31-13-9-25-57(67)58-26-10-14-32-68(58)75;1-16-40-74(41-17-1)67-28-12-8-26-60(67)65-44-51(37-39-68(65)74)76(50-36-38-57-55-22-5-4-20-53(55)54-21-6-7-23-56(54)64(57)43-50)73-46-72-66(45-63(73)49-35-34-48-33-32-47-18-2-3-19-52(47)62(48)42-49)61-27-11-15-31-71(61)75(72)69-29-13-9-24-58(69)59-25-10-14-30-70(59)75;1-16-40-74(41-17-1)67-28-12-8-24-58(67)62-39-37-51(44-71(62)74)76(50-36-38-57-55-22-5-4-20-53(55)54-21-6-7-23-56(54)65(57)43-50)73-46-72-66(45-64(73)49-35-34-48-33-32-47-18-2-3-19-52(47)63(48)42-49)61-27-11-15-31-70(61)75(72)68-29-13-9-25-59(68)60-26-10-14-30-69(60)75/h2-15,18-40,43-46H,1,16-17,41-42H2;2*2-15,18-39,42-46H,1,16-17,40-41H2
InChIKeyMMJFUCFMBKTZLL-UHFFFAOYSA-N
MW2898.72 g/mol
LogP60.49
Rot. Bonds12

About 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 159608406) has the molecular formula C225H153N3 and a molecular weight of 2898.72 g/mol. Its IUPAC name is 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound Name3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID159608406
Molecular FormulaC225H153N3
Molecular Weight2898.72 g/mol
Exact Mass2896.21
IUPAC Name3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESc1ccc2c(c1)-c1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5ccc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1C21CCCCC1.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5ccc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc1C21CCCCC1.c1ccc2c(c1)-c1cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5ccc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c1C21CCCCC1
InChIInChI=1S/3C75H51N/c1-16-41-74(42-17-1)66-30-12-8-27-59(66)61-29-18-34-71(73(61)74)76(50-39-40-56-54-23-5-4-21-52(54)53-22-6-7-24-55(53)64(56)44-50)72-46-70-65(45-63(72)49-38-37-48-36-35-47-19-2-3-20-51(47)62(48)43-49)60-28-11-15-33-69(60)75(70)67-31-13-9-25-57(67)58-26-10-14-32-68(58)75;1-16-40-74(41-17-1)67-28-12-8-26-60(67)65-44-51(37-39-68(65)74)76(50-36-38-57-55-22-5-4-20-53(55)54-21-6-7-23-56(54)64(57)43-50)73-46-72-66(45-63(73)49-35-34-48-33-32-47-18-2-3-19-52(47)62(48)42-49)61-27-11-15-31-71(61)75(72)69-29-13-9-24-58(69)59-25-10-14-30-70(59)75;1-16-40-74(41-17-1)67-28-12-8-24-58(67)62-39-37-51(44-71(62)74)76(50-36-38-57-55-22-5-4-20-53(55)54-21-6-7-23-56(54)65(57)43-50)73-46-72-66(45-64(73)49-35-34-48-33-32-47-18-2-3-19-52(47)63(48)42-49)61-27-11-15-31-70(61)75(72)68-29-13-9-25-59(68)60-26-10-14-30-69(60)75/h2-15,18-40,43-46H,1,16-17,41-42H2;2*2-15,18-39,42-46H,1,16-17,40-41H2
InChIKeyMMJFUCFMBKTZLL-UHFFFAOYSA-N
XLogP60.49
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms228
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002898.72
LogP ≤ 560.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine with MolForge

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Related Compounds

N-phenanthren-3-yl-3'-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138730851
3'-phenanthren-3-yl-N-spiro[cyclopentane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138728994
N-phenanthren-2-yl-3'-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-3-yl-3'-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-phenanthren-9-yl-3'-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 159615477
3'-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729545
3'-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729094
3'-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138728973
N-phenanthren-2-yl-N,3'-di(triphenylen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 138728982
N-naphthalen-1-yl-3'-(4-phenanthren-3-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729121
3'-phenanthren-3-yl-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729232
3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 158539466
3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 160930967
N-(9,9-dimethylfluoren-1-yl)-3'-(9,9-dimethylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729362

Frequently Asked Questions

What is the IUPAC name of 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 159608406) is 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is c1ccc2c(c1)-c1cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5ccc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc1C21CCCCC1.c1ccc2c(c1)-c1ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5ccc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cc1C21CCCCC1.c1ccc2c(c1)-c1cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5ccc6ccccc6c5c3)-c3ccccc3C43c4ccccc4-c4ccccc43)c1C21CCCCC1.
What is the InChIKey of 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is MMJFUCFMBKTZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C75H51N/c1-16-41-74(42-17-1)66-30-12-8-27-59(66)61-29-18-34-71(73(61)74)76(50-39-40-56-54-23-5-4-21-52(54)53-22-6-7-24-55(53)64(56)44-50)72-46-70-65(45-63(72)49-38-37-48-36-35-47-19-2-3-20-51(47)62(48)43-49)60-28-11-15-33-69(60)75(70)67-31-13-9-25-57(67)58-26-10-14-32-68(58)75;1-16-40-74(41-17-1)67-28-12-8-26-60(67)65-44-51(37-39-68(65)74)76(50-36-38-57-55-22-5-4-20-53(55)54-21-6-7-23-56(54)64(57)43-50)73-46-72-66(45-63(73)49-35-34-48-33-32-47-18-2-3-19-52(47)62(48)42-49)61-27-11-15-31-71(61)75(72)69-29-13-9-24-58(69)59-25-10-14-30-70(59)75;1-16-40-74(41-17-1)67-28-12-8-24-58(67)62-39-37-51(44-71(62)74)76(50-36-38-57-55-22-5-4-20-53(55)54-21-6-7-23-56(54)65(57)43-50)73-46-72-66(45-64(73)49-35-34-48-33-32-47-18-2-3-19-52(47)63(48)42-49)61-27-11-15-31-70(61)75(72)68-29-13-9-25-59(68)60-26-10-14-30-69(60)75/h2-15,18-40,43-46H,1,16-17,41-42H2;2*2-15,18-39,42-46H,1,16-17,40-41H2.
What are the key properties of 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 2898.72 g/mol, XLogP of 60.49, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-phenanthren-3-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 159608406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).