9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine

C67H42N2 — CID 138728949

IUPAC9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine
SMILESc1ccc(-c2cc3c(cc2N(c2ccc4c5ccccc5c5ccccc5c4c2)c2cccc4c5ccccc5n(-c5ccccc5)c24)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C67H42N2/c1-3-20-43(21-4-1)56-41-58-53-30-13-17-35-61(53)67(59-33-15-11-28-51(59)52-29-12-16-34-60(52)67)62(58)42-65(56)68(45-38-39-50-48-26-8-7-24-46(48)47-25-9-10-27-49(47)57(50)40-45)64-37-19-32-55-54-31-14-18-36-63(54)69(66(55)64)44-22-5-2-6-23-44/h1-42H
InChIKeyMIKONLGSSXVIKR-UHFFFAOYSA-N
MW875.09 g/mol
LogP17.72
Rot. Bonds5

About 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine

9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine (PubChem CID 138728949) has the molecular formula C67H42N2 and a molecular weight of 875.09 g/mol. Its IUPAC name is 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine.

Molecular Properties

Compound Name9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine
PubChem CID138728949
Molecular FormulaC67H42N2
Molecular Weight875.09 g/mol
Exact Mass874.33
IUPAC Name9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine
SMILESc1ccc(-c2cc3c(cc2N(c2ccc4c5ccccc5c5ccccc5c4c2)c2cccc4c5ccccc5n(-c5ccccc5)c24)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C67H42N2/c1-3-20-43(21-4-1)56-41-58-53-30-13-17-35-61(53)67(59-33-15-11-28-51(59)52-29-12-16-34-60(52)67)62(58)42-65(56)68(45-38-39-50-48-26-8-7-24-46(48)47-25-9-10-27-49(47)57(50)40-45)64-37-19-32-55-54-31-14-18-36-63(54)69(66(55)64)44-22-5-2-6-23-44/h1-42H
InChIKeyMIKONLGSSXVIKR-UHFFFAOYSA-N
XLogP17.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.09
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 138728948
5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine
CID 138729803
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 155004211
3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729929
N-chrysen-3-yl-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 170138552
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
N-(2,4-diphenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729354
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789606
3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729524
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
N,3'-bis(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(2-phenylphenyl)-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 160941164
N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729788

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine?
The IUPAC name of 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine (CID 138728949) is 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine.
What is the SMILES notation for 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine?
The canonical SMILES for 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine is c1ccc(-c2cc3c(cc2N(c2ccc4c5ccccc5c5ccccc5c4c2)c2cccc4c5ccccc5n(-c5ccccc5)c24)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine?
The InChIKey is MIKONLGSSXVIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2/c1-3-20-43(21-4-1)56-41-58-53-30-13-17-35-61(53)67(59-33-15-11-28-51(59)52-29-12-16-34-60(52)67)62(58)42-65(56)68(45-38-39-50-48-26-8-7-24-46(48)47-25-9-10-27-49(47)57(50)40-45)64-37-19-32-55-54-31-14-18-36-63(54)69(66(55)64)44-22-5-2-6-23-44/h1-42H.
What are the key properties of 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine?
9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine has a molecular weight of 875.09 g/mol, XLogP of 17.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine is sourced from PubChem (CID 138728949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).