N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine

C51H36N2S — CID 137385981

IUPACN-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5sc5ccccc56)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C51H36N2S/c1-51(2)44-21-11-9-18-38(44)40-29-30-41-43-32-37(28-31-45(43)53(49(41)48(40)51)35-16-7-4-8-17-35)52(36-26-24-34(25-27-36)33-14-5-3-6-15-33)46-22-13-20-42-39-19-10-12-23-47(39)54-50(42)46/h3-32H,1-2H3
InChIKeyQLUYTLDKTUAZED-UHFFFAOYSA-N
MW708.93 g/mol
LogP14.59
Rot. Bonds5

About N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine

N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine (PubChem CID 137385981) has the molecular formula C51H36N2S and a molecular weight of 708.93 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine
PubChem CID137385981
Molecular FormulaC51H36N2S
Molecular Weight708.93 g/mol
Exact Mass708.26
IUPAC NameN-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5sc5ccccc56)ccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C51H36N2S/c1-51(2)44-21-11-9-18-38(44)40-29-30-41-43-32-37(28-31-45(43)53(49(41)48(40)51)35-16-7-4-8-17-35)52(36-26-24-34(25-27-36)33-14-5-3-6-15-33)46-22-13-20-42-39-19-10-12-23-47(39)54-50(42)46/h3-32H,1-2H3
InChIKeyQLUYTLDKTUAZED-UHFFFAOYSA-N
XLogP14.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.93
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160959484
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 160893583
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
CID 129038207
12,12-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[1,2-b][1]benzothiol-10-amine
CID 146437091
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)phenyl]fluoren-2-amine
CID 89448271
N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 164967168

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine?
The IUPAC name of N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine (CID 137385981) is N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine is CC1(C)c2ccccc2-c2ccc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5sc5ccccc56)ccc4n(-c4ccccc4)c3c21.
What is the InChIKey of N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine?
The InChIKey is QLUYTLDKTUAZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2S/c1-51(2)44-21-11-9-18-38(44)40-29-30-41-43-32-37(28-31-45(43)53(49(41)48(40)51)35-16-7-4-8-17-35)52(36-26-24-34(25-27-36)33-14-5-3-6-15-33)46-22-13-20-42-39-19-10-12-23-47(39)54-50(42)46/h3-32H,1-2H3.
What are the key properties of N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine?
N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine has a molecular weight of 708.93 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-12,12-dimethyl-11-phenyl-N-(4-phenylphenyl)indeno[2,1-a]carbazol-8-amine is sourced from PubChem (CID 137385981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).