N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine

C67H44N2 — CID 171418926

IUPACN,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5cccc(-c6ccccc6)c5n(-c5ccc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)c4c3)cc2)cc1
InChIInChI=1S/C67H44N2/c1-4-18-45(19-5-1)46-34-38-50(39-35-46)68(49-22-8-3-9-23-49)52-42-43-57-58-29-16-28-54(47-20-6-2-7-21-47)66(58)69(64(57)44-52)51-40-36-48(37-41-51)53-27-17-33-63-65(53)59-26-12-15-32-62(59)67(63)60-30-13-10-24-55(60)56-25-11-14-31-61(56)67/h1-44H
InChIKeyGLEBGHCTVYWULR-UHFFFAOYSA-N
MW877.10 g/mol
LogP17.60
Rot. Bonds7

About N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine

N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine (PubChem CID 171418926) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine
PubChem CID171418926
Molecular FormulaC67H44N2
Molecular Weight877.10 g/mol
Exact Mass876.35
IUPAC NameN,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5cccc(-c6ccccc6)c5n(-c5ccc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)c4c3)cc2)cc1
InChIInChI=1S/C67H44N2/c1-4-18-45(19-5-1)46-34-38-50(39-35-46)68(49-22-8-3-9-23-49)52-42-43-57-58-29-16-28-54(47-20-6-2-7-21-47)66(58)69(64(57)44-52)51-40-36-48(37-41-51)53-27-17-33-63-65(53)59-26-12-15-32-62(59)67(63)60-30-13-10-24-55(60)56-25-11-14-31-61(56)67/h1-44H
InChIKeyGLEBGHCTVYWULR-UHFFFAOYSA-N
XLogP17.60
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.10
LogP ≤ 517.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-11-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]carbazol-9-amine
CID 171418918
9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 171418886
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline
CID 90154111
N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene-26,9'-fluorene]-11-amine
CID 169023324
CID 134551739
CID 134551739
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 168781540
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789606
9-[4-(9,9-diphenylfluoren-4-yl)-2-phenylphenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 171418861
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 158727335
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334

Frequently Asked Questions

What is the IUPAC name of N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine?
The IUPAC name of N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine (CID 171418926) is N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5cccc(-c6ccccc6)c5n(-c5ccc(-c6cccc7c6-c6ccccc6C76c7ccccc7-c7ccccc76)cc5)c4c3)cc2)cc1.
What is the InChIKey of N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine?
The InChIKey is GLEBGHCTVYWULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2/c1-4-18-45(19-5-1)46-34-38-50(39-35-46)68(49-22-8-3-9-23-49)52-42-43-57-58-29-16-28-54(47-20-6-2-7-21-47)66(58)69(64(57)44-52)51-40-36-48(37-41-51)53-27-17-33-63-65(53)59-26-12-15-32-62(59)67(63)60-30-13-10-24-55(60)56-25-11-14-31-61(56)67/h1-44H.
What are the key properties of N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine?
N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine has a molecular weight of 877.10 g/mol, XLogP of 17.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 171418926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).