2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline

C63H46N2 — CID 170137615

IUPAC2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccccc3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C63H46N2/c1-63(2)56-34-15-11-32-55(56)62-54(33-20-35-57(62)63)52-31-14-18-38-60(52)65(58-36-16-12-29-50(58)49-28-10-9-27-48(49)43-21-5-3-6-22-43)47-26-19-23-44(41-47)45-39-40-53-51-30-13-17-37-59(51)64(61(53)42-45)46-24-7-4-8-25-46/h3-42H,1-2H3
InChIKeyHENFBIYAPMWDPN-UHFFFAOYSA-N
MW831.08 g/mol
LogP17.23
Rot. Bonds8

About 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline

2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 170137615) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID170137615
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccccc3-c3ccccc3-c3ccccc3)cccc21
InChIInChI=1S/C63H46N2/c1-63(2)56-34-15-11-32-55(56)62-54(33-20-35-57(62)63)52-31-14-18-38-60(52)65(58-36-16-12-29-50(58)49-28-10-9-27-48(49)43-21-5-3-6-22-43)47-26-19-23-44(41-47)45-39-40-53-51-30-13-17-37-59(51)64(61(53)42-45)46-24-7-4-8-25-46/h3-42H,1-2H3
InChIKeyHENFBIYAPMWDPN-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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
CID 170138428
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine
CID 170139036
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-7-[6-[3-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 170142819
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine
CID 139567813
6,6,9,9,11,11-hexamethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(2-phenylphenyl)-7,8-dihydrobenzo[b]fluoren-4-amine
CID 169029910
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304314

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline (CID 170137615) is 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3ccccc3-c3ccccc3-c3ccccc3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is HENFBIYAPMWDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)56-34-15-11-32-55(56)62-54(33-20-35-57(62)63)52-31-14-18-38-60(52)65(58-36-16-12-29-50(58)49-28-10-9-27-48(49)43-21-5-3-6-22-43)47-26-19-23-44(41-47)45-39-40-53-51-30-13-17-37-59(51)64(61(53)42-45)46-24-7-4-8-25-46/h3-42H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline?
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline 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 2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170137615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).