9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine

C71H49N7 — CID 130354916

IUPAC9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cc(-c2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)ccc1-n1c2ccncc2c2cnccc21
InChIInChI=1S/C71H49N7/c1-48-40-49(30-33-65(48)78-70-36-38-72-46-63(70)64-47-73-39-37-71(64)78)50-41-57(76-66-28-16-14-26-59(66)61-44-55(31-34-68(61)76)74(51-18-6-2-7-19-51)52-20-8-3-9-21-52)43-58(42-50)77-67-29-17-15-27-60(67)62-45-56(32-35-69(62)77)75(53-22-10-4-11-23-53)54-24-12-5-13-25-54/h2-47H,1H3
InChIKeyWPOXYLPJWKOZKG-UHFFFAOYSA-N
MW1000.22 g/mol
LogP18.68
Rot. Bonds10

About 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine

9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 130354916) has the molecular formula C71H49N7 and a molecular weight of 1000.22 g/mol. Its IUPAC name is 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID130354916
Molecular FormulaC71H49N7
Molecular Weight1000.22 g/mol
Exact Mass999.40
IUPAC Name9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCc1cc(-c2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)ccc1-n1c2ccncc2c2cnccc21
InChIInChI=1S/C71H49N7/c1-48-40-49(30-33-65(48)78-70-36-38-72-46-63(70)64-47-73-39-37-71(64)78)50-41-57(76-66-28-16-14-26-59(66)61-44-55(31-34-68(61)76)74(51-18-6-2-7-19-51)52-20-8-3-9-21-52)43-58(42-50)77-67-29-17-15-27-60(67)62-45-56(32-35-69(62)77)75(53-22-10-4-11-23-53)54-24-12-5-13-25-54/h2-47H,1H3
InChIKeyWPOXYLPJWKOZKG-UHFFFAOYSA-N
XLogP18.68
TPSA47.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.22
LogP ≤ 518.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine with MolForge

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Related Compounds

5-[4-[3,5-bis(pyrido[4,3-b]indol-5-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252593
10-[3-(9-oxoacridin-10-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]acridin-9-one
CID 130354253
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
CID 122433898
7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine
CID 88884831
N,N-diphenyl-9-[8-[3-(N-phenylanilino)carbazol-9-yl]quinoxalin-5-yl]carbazol-3-amine
CID 140917952
5-[4-[4-(benzotriazol-1-yl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 135252617
1-[3-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]quinolin-4-one
CID 130355082
5-[4-[3-(2,3,4,5,6-pentafluorophenyl)phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
CID 130353095
N-[4-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59372069
N-phenyl-N-[4-(3-pyrido[4,3-b]indol-5-ylphenyl)phenyl]naphthalen-1-amine
CID 121296361
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-methylphenyl]-N,N-bis(4-methylphenyl)carbazol-3-amine
CID 126730691

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine (CID 130354916) is 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine is Cc1cc(-c2cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)ccc1-n1c2ccncc2c2cnccc21.
What is the InChIKey of 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is WPOXYLPJWKOZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H49N7/c1-48-40-49(30-33-65(48)78-70-36-38-72-46-63(70)64-47-73-39-37-71(64)78)50-41-57(76-66-28-16-14-26-59(66)61-44-55(31-34-68(61)76)74(51-18-6-2-7-19-51)52-20-8-3-9-21-52)43-58(42-50)77-67-29-17-15-27-60(67)62-45-56(32-35-69(62)77)75(53-22-10-4-11-23-53)54-24-12-5-13-25-54/h2-47H,1H3.
What are the key properties of 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine?
9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 1000.22 g/mol, XLogP of 18.68, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-5-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 130354916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).