N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine

C63H46N2 — CID 168789107

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C63H46N2/c1-63(2)56-36-17-14-29-49(56)53-34-20-35-54(62(53)63)50-30-15-18-37-57(50)65(46-40-41-59-55(42-46)51-31-16-19-38-58(51)64(59)45-26-10-5-11-27-45)60-39-21-33-48(44-24-8-4-9-25-44)61(60)52-32-13-12-28-47(52)43-22-6-3-7-23-43/h3-42H,1-2H3
InChIKeyJXHIMLTYEMPLIN-UHFFFAOYSA-N
MW831.08 g/mol
LogP17.23
Rot. Bonds8

About N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine (PubChem CID 168789107) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
PubChem CID168789107
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C63H46N2/c1-63(2)56-36-17-14-29-49(56)53-34-20-35-54(62(53)63)50-30-15-18-37-57(50)65(46-40-41-59-55(42-46)51-31-16-19-38-58(51)64(59)45-26-10-5-11-27-45)60-39-21-33-48(44-24-8-4-9-25-44)61(60)52-32-13-12-28-47(52)43-22-6-3-7-23-43/h3-42H,1-2H3
InChIKeyJXHIMLTYEMPLIN-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.08
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-1-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168789249
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790539
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790440
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-(9,9-diphenylfluoren-4-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790489
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 168789356
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-3-amine
CID 168790396
9-phenyl-N-(3-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790655
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-4-amine
CID 168789639

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine (CID 168789107) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cccc(-c4ccccc4)c3-c3ccccc3-c3ccccc3)c21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
The InChIKey is JXHIMLTYEMPLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)56-36-17-14-29-49(56)53-34-20-35-54(62(53)63)50-30-15-18-37-57(50)65(46-40-41-59-55(42-46)51-31-16-19-38-58(51)64(59)45-26-10-5-11-27-45)60-39-21-33-48(44-24-8-4-9-25-44)61(60)52-32-13-12-28-47(52)43-22-6-3-7-23-43/h3-42H,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine has a molecular weight of 831.08 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine is sourced from PubChem (CID 168789107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).