N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

C214H141N3 — CID 158560557

IUPACN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5c(cc4-c4ccccc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5c(cc4-c4ccccc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)ccc21.c1ccc(-c2cc3c(cc2N(c2ccc4c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)c2ccc4c5ccccc5c5ccccc5c4c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C74H47N.2C70H47N/c1-4-22-48(23-5-1)63-46-65-61-35-17-21-39-69(61)74(67-37-19-15-32-58(67)59-33-16-20-38-68(59)74)71(65)47-72(63)75(51-40-42-57-55-30-11-10-28-53(55)54-29-12-13-31-56(54)64(57)44-51)52-41-43-62-60-34-14-18-36-66(60)73(70(62)45-52,49-24-6-2-7-25-49)50-26-8-3-9-27-50;1-69(2)61-30-14-13-28-57(61)68-48(29-18-34-65(68)69)45-35-37-46(38-36-45)71(47-39-40-53-51-23-7-6-21-49(51)50-22-8-9-24-52(50)59(53)41-47)67-43-66-60(42-58(67)44-19-4-3-5-20-44)56-27-12-17-33-64(56)70(66)62-31-15-10-25-54(62)55-26-11-16-32-63(55)70;1-69(2)62-28-14-10-26-56(62)60-40-46(34-39-63(60)69)44-32-35-47(36-33-44)71(48-37-38-53-51-22-7-6-20-49(51)50-21-8-9-23-52(50)59(53)41-48)68-43-67-61(42-58(68)45-18-4-3-5-19-45)57-27-13-17-31-66(57)70(67)64-29-15-11-24-54(64)55-25-12-16-30-65(55)70/h1-47H;2*3-43H,1-2H3
InChIKeyHQVHFKPCRIQDQX-UHFFFAOYSA-N
MW2754.50 g/mol
LogP56.19
Rot. Bonds16

About N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 158560557) has the molecular formula C214H141N3 and a molecular weight of 2754.50 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID158560557
Molecular FormulaC214H141N3
Molecular Weight2754.50 g/mol
Exact Mass2752.11
IUPAC NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5c(cc4-c4ccccc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5c(cc4-c4ccccc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)ccc21.c1ccc(-c2cc3c(cc2N(c2ccc4c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)c2ccc4c5ccccc5c5ccccc5c4c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C74H47N.2C70H47N/c1-4-22-48(23-5-1)63-46-65-61-35-17-21-39-69(61)74(67-37-19-15-32-58(67)59-33-16-20-38-68(59)74)71(65)47-72(63)75(51-40-42-57-55-30-11-10-28-53(55)54-29-12-13-31-56(54)64(57)44-51)52-41-43-62-60-34-14-18-36-66(60)73(70(62)45-52,49-24-6-2-7-25-49)50-26-8-3-9-27-50;1-69(2)61-30-14-13-28-57(61)68-48(29-18-34-65(68)69)45-35-37-46(38-36-45)71(47-39-40-53-51-23-7-6-21-49(51)50-22-8-9-24-52(50)59(53)41-47)67-43-66-60(42-58(67)44-19-4-3-5-20-44)56-27-12-17-33-64(56)70(66)62-31-15-10-25-54(62)55-26-11-16-32-63(55)70;1-69(2)62-28-14-10-26-56(62)60-40-46(34-39-63(60)69)44-32-35-47(36-33-44)71(48-37-38-53-51-22-7-6-20-49(51)50-21-8-9-23-52(50)59(53)41-48)68-43-67-61(42-58(68)45-18-4-3-5-19-45)57-27-13-17-31-66(57)70(67)64-29-15-11-24-54(64)55-25-12-16-30-65(55)70/h1-47H;2*3-43H,1-2H3
InChIKeyHQVHFKPCRIQDQX-UHFFFAOYSA-N
XLogP56.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms217
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002754.50
LogP ≤ 556.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine with MolForge

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Related Compounds

3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729929
N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729788
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170136504
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 129258823
3'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729326
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)phenanthren-3-amine
CID 142589057
N-(9,9-diphenylfluoren-2-yl)-3-[9,9-diphenyl-7-[9,9'-spirobi[fluorene]-4-yl(triphenylen-2-yl)amino]fluoren-2-yl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-3'-amine
CID 130311297
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenylaniline
CID 170136624
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142523
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168791038
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 159519598
N-(9,9-dimethylfluoren-2-yl)-3-phenanthren-9-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142515477

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 158560557) is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2c(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5c(cc4-c4ccccc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)cccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cc5c(cc4-c4ccccc4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)ccc21.c1ccc(-c2cc3c(cc2N(c2ccc4c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-4)c2ccc4c5ccccc5c5ccccc5c4c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is HQVHFKPCRIQDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H47N.2C70H47N/c1-4-22-48(23-5-1)63-46-65-61-35-17-21-39-69(61)74(67-37-19-15-32-58(67)59-33-16-20-38-68(59)74)71(65)47-72(63)75(51-40-42-57-55-30-11-10-28-53(55)54-29-12-13-31-56(54)64(57)44-51)52-41-43-62-60-34-14-18-36-66(60)73(70(62)45-52,49-24-6-2-7-25-49)50-26-8-3-9-27-50;1-69(2)61-30-14-13-28-57(61)68-48(29-18-34-65(68)69)45-35-37-46(38-36-45)71(47-39-40-53-51-23-7-6-21-49(51)50-22-8-9-24-52(50)59(53)41-47)67-43-66-60(42-58(67)44-19-4-3-5-20-44)56-27-12-17-33-64(56)70(66)62-31-15-10-25-54(62)55-26-11-16-32-63(55)70;1-69(2)62-28-14-10-26-56(62)60-40-46(34-39-63(60)69)44-32-35-47(36-33-44)71(48-37-38-53-51-22-7-6-20-49(51)50-21-8-9-23-52(50)59(53)41-48)68-43-67-61(42-58(68)45-18-4-3-5-19-45)57-27-13-17-31-66(57)70(67)64-29-15-11-24-54(64)55-25-12-16-30-65(55)70/h1-47H;2*3-43H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 2754.50 g/mol, XLogP of 56.19, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-3'-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 158560557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).