N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine

C63H44N2S — CID 167322830

IUPACN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5)cc4)c4cccc5sc6ccccc6c45)cc3)c21
InChIInChI=1S/C63H44N2S/c1-63(2)54-22-8-3-16-49(54)52-21-13-20-48(62(52)63)44-35-39-46(40-36-44)64(58-26-14-28-60-61(58)53-19-7-12-27-59(53)66-60)45-37-33-42(34-38-45)41-29-31-43(32-30-41)47-15-4-9-23-55(47)65-56-24-10-5-17-50(56)51-18-6-11-25-57(51)65/h3-40H,1-2H3
InChIKeyNJHGXNLWWNKHGE-UHFFFAOYSA-N
MW861.13 g/mol
LogP17.93
Rot. Bonds7

About N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 167322830) has the molecular formula C63H44N2S and a molecular weight of 861.13 g/mol. Its IUPAC name is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine
PubChem CID167322830
Molecular FormulaC63H44N2S
Molecular Weight861.13 g/mol
Exact Mass860.32
IUPAC NameN-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5)cc4)c4cccc5sc6ccccc6c45)cc3)c21
InChIInChI=1S/C63H44N2S/c1-63(2)54-22-8-3-16-49(54)52-21-13-20-48(62(52)63)44-35-39-46(40-36-44)64(58-26-14-28-60-61(58)53-19-7-12-27-59(53)66-60)45-37-33-42(34-38-45)41-29-31-43(32-30-41)47-15-4-9-23-55(47)65-56-24-10-5-17-50(56)51-18-6-11-25-57(51)65/h3-40H,1-2H3
InChIKeyNJHGXNLWWNKHGE-UHFFFAOYSA-N
XLogP17.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.13
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 163752073
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
2-dibenzothiophen-1-yl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 167326460
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138577563
14-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118503122
N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine
CID 169023375
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 168789356
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322840
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138484635
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine
CID 121358602
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 167322390
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine (CID 167322830) is N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5)cc4)c4cccc5sc6ccccc6c45)cc3)c21.
What is the InChIKey of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine?
The InChIKey is NJHGXNLWWNKHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2S/c1-63(2)54-22-8-3-16-49(54)52-21-13-20-48(62(52)63)44-35-39-46(40-36-44)64(58-26-14-28-60-61(58)53-19-7-12-27-59(53)66-60)45-37-33-42(34-38-45)41-29-31-43(32-30-41)47-15-4-9-23-55(47)65-56-24-10-5-17-50(56)51-18-6-11-25-57(51)65/h3-40H,1-2H3.
What are the key properties of N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine?
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 861.13 g/mol, XLogP of 17.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 167322830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).