N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine

C61H42N2 — CID 170375458

IUPACN-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5-c5ccccc5)c5ccccc5-6)cc43)c2)cc1
InChIInChI=1S/C61H42N2/c1-5-20-43(21-6-1)45-24-19-29-48(40-45)63-59-35-18-15-32-54(59)55-39-37-50(42-60(55)63)62(47-27-11-4-12-28-47)49-36-38-53-52-31-14-17-34-57(52)61(58(53)41-49,46-25-9-3-10-26-46)56-33-16-13-30-51(56)44-22-7-2-8-23-44/h1-42H
InChIKeyMLLRNBPYUPLYTO-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.95
Rot. Bonds8

About N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine

N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine (PubChem CID 170375458) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine.

Molecular Properties

Compound NameN-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine
PubChem CID170375458
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC NameN-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5-c5ccccc5)c5ccccc5-6)cc43)c2)cc1
InChIInChI=1S/C61H42N2/c1-5-20-43(21-6-1)45-24-19-29-48(40-45)63-59-35-18-15-32-54(59)55-39-37-50(42-60(55)63)62(47-27-11-4-12-28-47)49-36-38-53-52-31-14-17-34-57(52)61(58(53)41-49,46-25-9-3-10-26-46)56-33-16-13-30-51(56)44-22-7-2-8-23-44/h1-42H
InChIKeyMLLRNBPYUPLYTO-UHFFFAOYSA-N
XLogP15.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
N,9,9-triphenyl-N-[4-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505705
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118505684
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
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
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]fluoren-2-amine
CID 165108367
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 166565681
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166566306

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine?
The IUPAC name of N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine (CID 170375458) is N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine.
What is the SMILES notation for N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine?
The canonical SMILES for N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccccc5)(c5ccccc5-c5ccccc5)c5ccccc5-6)cc43)c2)cc1.
What is the InChIKey of N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine?
The InChIKey is MLLRNBPYUPLYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-5-20-43(21-6-1)45-24-19-29-48(40-45)63-59-35-18-15-32-54(59)55-39-37-50(42-60(55)63)62(47-27-11-4-12-28-47)49-36-38-53-52-31-14-17-34-57(52)61(58(53)41-49,46-25-9-3-10-26-46)56-33-16-13-30-51(56)44-22-7-2-8-23-44/h1-42H.
What are the key properties of N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine?
N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine has a molecular weight of 803.02 g/mol, XLogP of 15.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-(3-phenylphenyl)-N-[9-phenyl-9-(2-phenylphenyl)fluoren-2-yl]carbazol-2-amine is sourced from PubChem (CID 170375458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).