N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine

C68H43N3S — CID 126718547

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc7ccccc7c6)cc5)c4)cc3c3ccc4cc5sc6ccccc6c5cc4c32)cc1
InChIInChI=1S/C68H43N3S/c1-2-17-51(18-3-1)71-65-38-29-49(41-61(65)59-37-28-50-42-67-62(43-60(50)68(59)71)58-21-8-11-24-66(58)72-67)47-16-12-15-46(39-47)45-25-30-52(31-26-45)69(55-32-27-44-13-4-5-14-48(44)40-55)53-33-35-54(36-34-53)70-63-22-9-6-19-56(63)57-20-7-10-23-64(57)70/h1-43H
InChIKeyXEUAODGQZDMFMJ-UHFFFAOYSA-N
MW934.18 g/mol
LogP19.36
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine

N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine (PubChem CID 126718547) has the molecular formula C68H43N3S and a molecular weight of 934.18 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine
PubChem CID126718547
Molecular FormulaC68H43N3S
Molecular Weight934.18 g/mol
Exact Mass933.32
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc7ccccc7c6)cc5)c4)cc3c3ccc4cc5sc6ccccc6c5cc4c32)cc1
InChIInChI=1S/C68H43N3S/c1-2-17-51(18-3-1)71-65-38-29-49(41-61(65)59-37-28-50-42-67-62(43-60(50)68(59)71)58-21-8-11-24-66(58)72-67)47-16-12-15-46(39-47)45-25-30-52(31-26-45)69(55-32-27-44-13-4-5-14-48(44)40-55)53-33-35-54(36-34-53)70-63-22-9-6-19-56(63)57-20-7-10-23-64(57)70/h1-43H
InChIKeyXEUAODGQZDMFMJ-UHFFFAOYSA-N
XLogP19.36
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.18
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline
CID 126718198
N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline
CID 126718544
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664119
N-dibenzothiophen-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-3-amine
CID 166847791
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-4-(4-naphthalen-2-ylphenyl)aniline
CID 146577905
3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 163486242
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 88873441
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-3-yl-9-phenylcarbazol-3-amine
CID 168809750

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine (CID 126718547) is N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine is c1ccc(-n2c3ccc(-c4cccc(-c5ccc(N(c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccc7ccccc7c6)cc5)c4)cc3c3ccc4cc5sc6ccccc6c5cc4c32)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine?
The InChIKey is XEUAODGQZDMFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N3S/c1-2-17-51(18-3-1)71-65-38-29-49(41-61(65)59-37-28-50-42-67-62(43-60(50)68(59)71)58-21-8-11-24-66(58)72-67)47-16-12-15-46(39-47)45-25-30-52(31-26-45)69(55-32-27-44-13-4-5-14-48(44)40-55)53-33-35-54(36-34-53)70-63-22-9-6-19-56(63)57-20-7-10-23-64(57)70/h1-43H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine?
N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 934.18 g/mol, XLogP of 19.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 126718547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).