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

C67H42N2 — CID 138728948

IUPAC9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine
SMILESc1ccc(-c2cc3c(cc2N(c2ccc4c5ccccc5c5ccccc5c4c2)c2ccc4c5ccccc5n(-c5ccccc5)c4c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C67H42N2/c1-3-19-43(20-4-1)57-41-59-54-29-13-17-33-62(54)67(60-31-15-11-27-52(60)53-28-12-16-32-61(53)67)63(59)42-66(57)68(45-35-37-51-49-25-8-7-23-47(49)48-24-9-10-26-50(48)58(51)39-45)46-36-38-56-55-30-14-18-34-64(55)69(65(56)40-46)44-21-5-2-6-22-44/h1-42H
InChIKeyYWAGKBXKNADKCU-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-2-amine

9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine (PubChem CID 138728948) 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-2-amine.

Molecular Properties

Compound Name9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine
PubChem CID138728948
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-2-amine
SMILESc1ccc(-c2cc3c(cc2N(c2ccc4c5ccccc5c5ccccc5c4c2)c2ccc4c5ccccc5n(-c5ccccc5)c4c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C67H42N2/c1-3-19-43(20-4-1)57-41-59-54-29-13-17-33-62(54)67(60-31-15-11-27-52(60)53-28-12-16-32-61(53)67)63(59)42-66(57)68(45-35-37-51-49-25-8-7-23-47(49)48-24-9-10-26-50(48)58(51)39-45)46-36-38-56-55-30-14-18-34-64(55)69(65(56)40-46)44-21-5-2-6-22-44/h1-42H
InChIKeyYWAGKBXKNADKCU-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

5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine
CID 138729803
9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-1-amine
CID 138728949
N-phenyl-3'-(5-phenylbenzo[b]carbazol-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138730031
3'-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729929
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
9-phenyl-N-(4-phenylphenyl)-N-[4-(3,9,9-triphenylfluoren-2-yl)phenyl]carbazol-2-amine
CID 146367853
N-(3,4-diphenylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729788
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074
3'-carbazol-9-yl-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729524

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine?
The IUPAC name of 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine (CID 138728948) is 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine.
What is the SMILES notation for 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine?
The canonical SMILES for 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine is c1ccc(-c2cc3c(cc2N(c2ccc4c5ccccc5c5ccccc5c4c2)c2ccc4c5ccccc5n(-c5ccccc5)c4c2)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-2-amine?
The InChIKey is YWAGKBXKNADKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2/c1-3-19-43(20-4-1)57-41-59-54-29-13-17-33-62(54)67(60-31-15-11-27-52(60)53-28-12-16-32-61(53)67)63(59)42-66(57)68(45-35-37-51-49-25-8-7-23-47(49)48-24-9-10-26-50(48)58(51)39-45)46-36-38-56-55-30-14-18-34-64(55)69(65(56)40-46)44-21-5-2-6-22-44/h1-42H.
What are the key properties of 9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-amine?
9-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylcarbazol-2-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-2-amine is sourced from PubChem (CID 138728948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).