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

C63H46N2 — CID 170112907

IUPACN-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C63H46N2/c1-63(2)58-31-14-10-27-53(58)54-40-37-45(41-59(54)63)43-35-38-46(39-36-43)64(47-21-18-22-48(42-47)65-61-33-16-12-29-56(61)57-30-13-17-34-62(57)65)60-32-15-11-28-55(60)52-26-9-8-25-51(52)50-24-7-6-23-49(50)44-19-4-3-5-20-44/h3-42H,1-2H3
InChIKeyUXWQWYFMNVDLBY-UHFFFAOYSA-N
MW831.08 g/mol
LogP17.23
Rot. Bonds8

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

N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (PubChem CID 170112907) has the molecular formula C63H46N2 and a molecular weight of 831.08 g/mol. Its IUPAC name is N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
PubChem CID170112907
Molecular FormulaC63H46N2
Molecular Weight831.08 g/mol
Exact Mass830.37
IUPAC NameN-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc21
InChIInChI=1S/C63H46N2/c1-63(2)58-31-14-10-27-53(58)54-40-37-45(41-59(54)63)43-35-38-46(39-36-43)64(47-21-18-22-48(42-47)65-61-33-16-12-29-56(61)57-30-13-17-34-62(57)65)60-32-15-11-28-55(60)52-26-9-8-25-51(52)50-24-7-6-23-49(50)44-19-4-3-5-20-44/h3-42H,1-2H3
InChIKeyUXWQWYFMNVDLBY-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

7-carbazol-9-yl-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58389925
N-[2-(3-carbazol-9-ylphenyl)-3-phenylphenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 167293215
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
N-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472228
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
CID 167527111
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112713
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-4-amine
CID 170112243
N-(3-carbazol-9-ylphenyl)-N-phenyl-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502829
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
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
9,9-dimethyl-N-[2-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 177077839

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline (CID 170112907) is N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)cc3)cc21.
What is the InChIKey of N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
The InChIKey is UXWQWYFMNVDLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N2/c1-63(2)58-31-14-10-27-53(58)54-40-37-45(41-59(54)63)43-35-38-46(39-36-43)64(47-21-18-22-48(42-47)65-61-33-16-12-29-56(61)57-30-13-17-34-62(57)65)60-32-15-11-28-55(60)52-26-9-8-25-51(52)50-24-7-6-23-49(50)44-19-4-3-5-20-44/h3-42H,1-2H3.
What are the key properties of N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline?
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[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 N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 170112907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).