N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine

C58H42N4 — CID 118315805

IUPACN-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine
SMILESCc1ccc(N(c2ccc(-n3c4ccccc4c4ccc5c(-c6ccccc6)cn(-c6ccccc6)c5c43)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)cc1
InChIInChI=1S/C58H42N4/c1-39-21-25-43(26-22-39)60(47-33-36-56-52(37-47)49-18-10-11-19-54(49)61(56)45-27-23-40(2)24-28-45)44-29-31-46(32-30-44)62-55-20-12-9-17-48(55)50-34-35-51-53(41-13-5-3-6-14-41)38-59(57(51)58(50)62)42-15-7-4-8-16-42/h3-38H,1-2H3
InChIKeyZRCLWZQITFTFCV-UHFFFAOYSA-N
MW795.00 g/mol
LogP15.58
Rot. Bonds7

About N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine

N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine (PubChem CID 118315805) has the molecular formula C58H42N4 and a molecular weight of 795.00 g/mol. Its IUPAC name is N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine
PubChem CID118315805
Molecular FormulaC58H42N4
Molecular Weight795.00 g/mol
Exact Mass794.34
IUPAC NameN-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine
SMILESCc1ccc(N(c2ccc(-n3c4ccccc4c4ccc5c(-c6ccccc6)cn(-c6ccccc6)c5c43)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)cc1
InChIInChI=1S/C58H42N4/c1-39-21-25-43(26-22-39)60(47-33-36-56-52(37-47)49-18-10-11-19-54(49)61(56)45-27-23-40(2)24-28-45)44-29-31-46(32-30-44)62-55-20-12-9-17-48(55)50-34-35-51-53(41-13-5-3-6-14-41)38-59(57(51)58(50)62)42-15-7-4-8-16-42/h3-38H,1-2H3
InChIKeyZRCLWZQITFTFCV-UHFFFAOYSA-N
XLogP15.58
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[9-(4-methylphenyl)carbazol-3-yl]-N,1,10-triphenylpyrrolo[2,3-a]carbazol-7-amine
CID 118316091
9-(4-methylphenyl)-N-phenyl-N-[4-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)phenyl]carbazol-3-amine
CID 118316037
9-(4-methylphenyl)-N-phenyl-N-[4-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315164
N,9-bis(4-methylphenyl)-N-[3-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]carbazol-3-amine
CID 118315166
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N,1,10-triphenyl-N-(9-phenylcarbazol-3-yl)pyrrolo[2,3-a]carbazol-7-amine
CID 118316092
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine?
The IUPAC name of N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine (CID 118315805) is N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine?
The canonical SMILES for N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine is Cc1ccc(N(c2ccc(-n3c4ccccc4c4ccc5c(-c6ccccc6)cn(-c6ccccc6)c5c43)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine?
The InChIKey is ZRCLWZQITFTFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42N4/c1-39-21-25-43(26-22-39)60(47-33-36-56-52(37-47)49-18-10-11-19-54(49)61(56)45-27-23-40(2)24-28-45)44-29-31-46(32-30-44)62-55-20-12-9-17-48(55)50-34-35-51-53(41-13-5-3-6-14-41)38-59(57(51)58(50)62)42-15-7-4-8-16-42/h3-38H,1-2H3.
What are the key properties of N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine?
N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine has a molecular weight of 795.00 g/mol, XLogP of 15.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-diphenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]-N,9-bis(4-methylphenyl)carbazol-3-amine is sourced from PubChem (CID 118315805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).