3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine

C68H47N3S — CID 145430538

IUPAC3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3cccc(-c4ccc5sc6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c5c4)c3)c3ccc4c(c3)-c3ccccc3CC4)c2)cc1
InChIInChI=1S/C68H47N3S/c1-4-18-52(19-5-1)69(53-20-6-2-7-21-53)56-25-15-26-57(44-56)70(58-36-32-47-31-30-46-16-10-11-27-59(46)62(47)45-58)55-24-14-17-48(40-55)49-34-38-67-63(41-49)64-42-50(35-39-68(64)72-67)51-33-37-61-60-28-12-13-29-65(60)71(66(61)43-51)54-22-8-3-9-23-54/h1-29,32-45H,30-31H2
InChIKeyCYRSJCHSYLICQV-UHFFFAOYSA-N
MW938.21 g/mol
LogP19.19
Rot. Bonds9

About 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine

3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine (PubChem CID 145430538) has the molecular formula C68H47N3S and a molecular weight of 938.21 g/mol. Its IUPAC name is 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine
PubChem CID145430538
Molecular FormulaC68H47N3S
Molecular Weight938.21 g/mol
Exact Mass937.35
IUPAC Name3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine
SMILESc1ccc(N(c2ccccc2)c2cccc(N(c3cccc(-c4ccc5sc6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c5c4)c3)c3ccc4c(c3)-c3ccccc3CC4)c2)cc1
InChIInChI=1S/C68H47N3S/c1-4-18-52(19-5-1)69(53-20-6-2-7-21-53)56-25-15-26-57(44-56)70(58-36-32-47-31-30-46-16-10-11-27-59(46)62(47)45-58)55-24-14-17-48(40-55)49-34-38-67-63(41-49)64-42-50(35-39-68(64)72-67)51-33-37-61-60-28-12-13-29-65(60)71(66(61)43-51)54-22-8-3-9-23-54/h1-29,32-45H,30-31H2
InChIKeyCYRSJCHSYLICQV-UHFFFAOYSA-N
XLogP19.19
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.21
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine with MolForge

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Related Compounds

1-N,1-N,3-N-triphenyl-3-N-[3-(N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]anilino)phenyl]benzene-1,3-diamine
CID 164933153
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526
3-N-(8-dibenzothiophen-3-yldibenzothiophen-3-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzothiophen-2-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-yl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 157137830
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-[4-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118505638
3-N-dibenzothiophen-2-yl-3-N-[3-[9-phenanthren-9-yl-6-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 147950508
N-[3-naphthalen-1-yl-5-(9-phenylcarbazol-2-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 144990462
N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618
3-carbazol-9-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146578528
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-phenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9H-fluoren-3-amine
CID 145232650

Frequently Asked Questions

What is the IUPAC name of 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine?
The IUPAC name of 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine (CID 145430538) is 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine is c1ccc(N(c2ccccc2)c2cccc(N(c3cccc(-c4ccc5sc6ccc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cc6c5c4)c3)c3ccc4c(c3)-c3ccccc3CC4)c2)cc1.
What is the InChIKey of 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine?
The InChIKey is CYRSJCHSYLICQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N3S/c1-4-18-52(19-5-1)69(53-20-6-2-7-21-53)56-25-15-26-57(44-56)70(58-36-32-47-31-30-46-16-10-11-27-59(46)62(47)45-58)55-24-14-17-48(40-55)49-34-38-67-63(41-49)64-42-50(35-39-68(64)72-67)51-33-37-61-60-28-12-13-29-65(60)71(66(61)43-51)54-22-8-3-9-23-54/h1-29,32-45H,30-31H2.
What are the key properties of 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine?
3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine has a molecular weight of 938.21 g/mol, XLogP of 19.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9,10-dihydrophenanthren-3-yl)-1-N,1-N-diphenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-2-yl]phenyl]benzene-1,3-diamine is sourced from PubChem (CID 145430538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).