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

C72H47N — CID 138729359

IUPACN-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5c(ccc6ccccc65)c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C72H47N/c1-71(2)62-28-13-12-27-58(62)70-66(71)32-17-33-68(70)73(47-37-39-54-52-22-6-5-20-50(52)51-21-7-8-23-53(51)60(54)41-47)69-43-67-61(42-59(69)46-36-38-49-45(40-46)35-34-44-18-3-4-19-48(44)49)57-26-11-16-31-65(57)72(67)63-29-14-9-24-55(63)56-25-10-15-30-64(56)72/h3-43H,1-2H3
InChIKeySUAQRIWLQBBWPN-UHFFFAOYSA-N
MW926.18 g/mol
LogP19.24
Rot. Bonds4

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

N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 138729359) has the molecular formula C72H47N and a molecular weight of 926.18 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID138729359
Molecular FormulaC72H47N
Molecular Weight926.18 g/mol
Exact Mass925.37
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5c(ccc6ccccc65)c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C72H47N/c1-71(2)62-28-13-12-27-58(62)70-66(71)32-17-33-68(70)73(47-37-39-54-52-22-6-5-20-50(52)51-21-7-8-23-53(51)60(54)41-47)69-43-67-61(42-59(69)46-36-38-49-45(40-46)35-34-44-18-3-4-19-48(44)49)57-26-11-16-31-65(57)72(67)63-29-14-9-24-55(63)56-25-10-15-30-64(56)72/h3-43H,1-2H3
InChIKeySUAQRIWLQBBWPN-UHFFFAOYSA-N
XLogP19.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.18
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-phenanthren-2-yl-N,3'-di(triphenylen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 138728982
3'-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-naphthalen-1-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729326
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-(9,9-dimethylfluoren-1-yl)-3'-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729486
N-(9,9-dimethylfluoren-1-yl)-3'-(9,9-dimethylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729362
3'-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729312
N-(9,9-dimethylfluoren-4-yl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 135271123
methane;N-naphthalen-1-yl-3'-(4-phenanthren-9-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-phenanthren-2-ylphenyl)-N-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 158924092
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
N-(9,9-dimethylfluoren-3-yl)-3'-phenanthren-9-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729282
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 170139291

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine (CID 138729359) is N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3ccc5c(ccc6ccccc65)c3)-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is SUAQRIWLQBBWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47N/c1-71(2)62-28-13-12-27-58(62)70-66(71)32-17-33-68(70)73(47-37-39-54-52-22-6-5-20-50(52)51-21-7-8-23-53(51)60(54)41-47)69-43-67-61(42-59(69)46-36-38-49-45(40-46)35-34-44-18-3-4-19-48(44)49)57-26-11-16-31-65(57)72(67)63-29-14-9-24-55(63)56-25-10-15-30-64(56)72/h3-43H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine?
N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 926.18 g/mol, XLogP of 19.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-3'-phenanthren-2-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 138729359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).