5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine

C71H44N2 — CID 138729803

IUPAC5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine
SMILESc1ccc(-c2cc3c(cc2N(c2ccc4c5ccccc5c5ccccc5c4c2)c2cccc4cc5c(cc24)c2ccccc2n5-c2ccccc2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C71H44N2/c1-3-20-45(21-4-1)58-42-61-56-31-13-17-35-65(56)71(63-33-15-11-29-54(63)55-30-12-16-34-64(55)71)66(61)44-70(58)73(48-38-39-53-51-27-8-7-25-49(51)50-26-9-10-28-52(50)60(53)41-48)68-37-19-22-46-40-69-62(43-59(46)68)57-32-14-18-36-67(57)72(69)47-23-5-2-6-24-47/h1-44H
InChIKeyHPUXOMXGENTZLG-UHFFFAOYSA-N
MW925.15 g/mol
LogP18.88
Rot. Bonds5

About 5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine

5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine (PubChem CID 138729803) has the molecular formula C71H44N2 and a molecular weight of 925.15 g/mol. Its IUPAC name is 5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine.

Molecular Properties

Compound Name5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine
PubChem CID138729803
Molecular FormulaC71H44N2
Molecular Weight925.15 g/mol
Exact Mass924.35
IUPAC Name5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine
SMILESc1ccc(-c2cc3c(cc2N(c2ccc4c5ccccc5c5ccccc5c4c2)c2cccc4cc5c(cc24)c2ccccc2n5-c2ccccc2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C71H44N2/c1-3-20-45(21-4-1)58-42-61-56-31-13-17-35-65(56)71(63-33-15-11-29-54(63)55-30-12-16-34-64(55)71)66(61)44-70(58)73(48-38-39-53-51-27-8-7-25-49(51)50-26-9-10-28-52(50)60(53)41-48)68-37-19-22-46-40-69-62(43-59(46)68)57-32-14-18-36-67(57)72(69)47-23-5-2-6-24-47/h1-44H
InChIKeyHPUXOMXGENTZLG-UHFFFAOYSA-N
XLogP18.88
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.15
LogP ≤ 518.88
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
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
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
1-N'-naphthalen-1-yl-1-N,1-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,1'-diamine
CID 164838059
4-N-naphthalen-1-yl-3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838081
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
N-(9,9-dimethylfluoren-1-yl)-3'-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729486
3'-(4-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729866

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine?
The IUPAC name of 5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine (CID 138729803) is 5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine.
What is the SMILES notation for 5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine?
The canonical SMILES for 5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine is c1ccc(-c2cc3c(cc2N(c2ccc4c5ccccc5c5ccccc5c4c2)c2cccc4cc5c(cc24)c2ccccc2n5-c2ccccc2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine?
The InChIKey is HPUXOMXGENTZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H44N2/c1-3-20-45(21-4-1)58-42-61-56-31-13-17-35-65(56)71(63-33-15-11-29-54(63)55-30-12-16-34-64(55)71)66(61)44-70(58)73(48-38-39-53-51-27-8-7-25-49(51)50-26-9-10-28-52(50)60(53)41-48)68-37-19-22-46-40-69-62(43-59(46)68)57-32-14-18-36-67(57)72(69)47-23-5-2-6-24-47/h1-44H.
What are the key properties of 5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine?
5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine has a molecular weight of 925.15 g/mol, XLogP of 18.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(3'-phenyl-9,9'-spirobi[fluorene]-2'-yl)-N-triphenylen-2-ylbenzo[b]carbazol-10-amine is sourced from PubChem (CID 138729803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).