N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine

C70H53N3S — CID 130241313

IUPACN,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine
SMILESC1=CC2c3ccc(N(C4=CCC(c5ccc(N(C6=CC=C(c7cccc8c7sc7c(-c9ccccc9)cccc78)CC6)c6ccccc6)cc5)c5ccccc54)c4ccccc4)cc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C70H53N3S/c1-5-19-48(20-6-1)58-30-17-32-64-65-33-18-31-59(70(65)74-69(58)64)50-37-41-55(42-38-50)71(51-21-7-2-8-22-51)54-39-35-49(36-40-54)57-45-46-67(61-28-14-13-27-60(57)61)72(52-23-9-3-10-24-52)56-43-44-63-62-29-15-16-34-66(62)73(68(63)47-56)53-25-11-4-12-26-53/h1-37,39-41,43-44,46-47,57,62,66H,38,42,45H2
InChIKeyZDLNNWICYIUPBE-UHFFFAOYSA-N
MW968.28 g/mol
LogP19.07
Rot. Bonds10

About N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine

N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine (PubChem CID 130241313) has the molecular formula C70H53N3S and a molecular weight of 968.28 g/mol. Its IUPAC name is N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine
PubChem CID130241313
Molecular FormulaC70H53N3S
Molecular Weight968.28 g/mol
Exact Mass967.40
IUPAC NameN,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine
SMILESC1=CC2c3ccc(N(C4=CCC(c5ccc(N(C6=CC=C(c7cccc8c7sc7c(-c9ccccc9)cccc78)CC6)c6ccccc6)cc5)c5ccccc54)c4ccccc4)cc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C70H53N3S/c1-5-19-48(20-6-1)58-30-17-32-64-65-33-18-31-59(70(65)74-69(58)64)50-37-41-55(42-38-50)71(51-21-7-2-8-22-51)54-39-35-49(36-40-54)57-45-46-67(61-28-14-13-27-60(57)61)72(52-23-9-3-10-24-52)56-43-44-63-62-29-15-16-34-66(62)73(68(63)47-56)53-25-11-4-12-26-53/h1-37,39-41,43-44,46-47,57,62,66H,38,42,45H2
InChIKeyZDLNNWICYIUPBE-UHFFFAOYSA-N
XLogP19.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.28
LogP ≤ 519.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine with MolForge

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Related Compounds

3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
4-phenyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 131993919
N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)-9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
CID 167154612
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-2-yl)benzo[e][1,3]benzoxazol-5-amine
CID 170026171
N-[4-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(3,6-diphenylcyclohexa-1,5-dien-1-yl)-4-phenylaniline
CID 139339098
N-(4-dibenzothiophen-1-ylcyclohexa-1,3-dien-1-yl)-9,9-dimethyl-N-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]fluoren-2-amine
CID 166820063
N-(4-dibenzofuran-4-ylphenyl)-4-(2-dibenzothiophen-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 154961721
N-[4-[(10aS)-11-phenyl-6b,10a-dihydrobenzo[a]carbazol-5-yl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-2-amine
CID 175613522
4-[8-(2-methylcyclopropyl)-6-[4-(N-phenylanilino)cyclohexa-1,3-dien-1-yl]-1,2-dihydropyren-1-yl]-N,N-diphenylaniline
CID 144777486
CID 88967344
CID 88967344
N-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167234495
4-(3-dibenzothiophen-4-ylphenyl)-N-[4-[3-(3-fluorocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 169073621

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine?
The IUPAC name of N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine (CID 130241313) is N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine.
What is the SMILES notation for N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine?
The canonical SMILES for N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine is C1=CC2c3ccc(N(C4=CCC(c5ccc(N(C6=CC=C(c7cccc8c7sc7c(-c9ccccc9)cccc78)CC6)c6ccccc6)cc5)c5ccccc54)c4ccccc4)cc3N(c3ccccc3)C2C=C1.
What is the InChIKey of N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine?
The InChIKey is ZDLNNWICYIUPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H53N3S/c1-5-19-48(20-6-1)58-30-17-32-64-65-33-18-31-59(70(65)74-69(58)64)50-37-41-55(42-38-50)71(51-21-7-2-8-22-51)54-39-35-49(36-40-54)57-45-46-67(61-28-14-13-27-60(57)61)72(52-23-9-3-10-24-52)56-43-44-63-62-29-15-16-34-66(62)73(68(63)47-56)53-25-11-4-12-26-53/h1-37,39-41,43-44,46-47,57,62,66H,38,42,45H2.
What are the key properties of N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine?
N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine has a molecular weight of 968.28 g/mol, XLogP of 19.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[4-[4-(N-[4-(6-phenyldibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]anilino)phenyl]-3,4-dihydronaphthalen-1-yl]-4b,8a-dihydrocarbazol-2-amine is sourced from PubChem (CID 130241313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).