N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine

C67H50N2 — CID 167177623

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C67H50N2/c1-65(2)55-24-12-8-20-49(55)52-37-35-48(42-61(52)65)68(47-36-39-64-54(41-47)53-23-11-17-29-63(53)69(64)45-18-6-5-7-19-45)46-33-30-43(31-34-46)44-32-38-60-62(40-44)66(3,4)58-27-15-16-28-59(58)67(60)56-25-13-9-21-50(56)51-22-10-14-26-57(51)67/h5-42H,1-4H3
InChIKeyYZBXIIMSWQIZGS-UHFFFAOYSA-N
MW883.15 g/mol
LogP17.23
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 167177623) has the molecular formula C67H50N2 and a molecular weight of 883.15 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID167177623
Molecular FormulaC67H50N2
Molecular Weight883.15 g/mol
Exact Mass882.40
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C67H50N2/c1-65(2)55-24-12-8-20-49(55)52-37-35-48(42-61(52)65)68(47-36-39-64-54(41-47)53-23-11-17-29-63(53)69(64)45-18-6-5-7-19-45)46-33-30-43(31-34-46)44-32-38-60-62(40-44)66(3,4)58-27-15-16-28-59(58)67(60)56-25-13-9-21-50(56)51-22-10-14-26-57(51)67/h5-42H,1-4H3
InChIKeyYZBXIIMSWQIZGS-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.15
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 126605201
N-(9,9-dimethylfluoren-2-yl)-N,9-diphenylcarbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157289392
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 87412305
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine (CID 167177623) is N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is YZBXIIMSWQIZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50N2/c1-65(2)55-24-12-8-20-49(55)52-37-35-48(42-61(52)65)68(47-36-39-64-54(41-47)53-23-11-17-29-63(53)69(64)45-18-6-5-7-19-45)46-33-30-43(31-34-46)44-32-38-60-62(40-44)66(3,4)58-27-15-16-28-59(58)67(60)56-25-13-9-21-50(56)51-22-10-14-26-57(51)67/h5-42H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 883.15 g/mol, XLogP of 17.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 167177623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).