N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine

C50H34N2S — CID 129293035

IUPACN-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C50H34N2S/c1-50(42-21-9-5-17-36(42)37-18-6-10-22-43(37)50)44-23-11-13-25-47(44)51(35-27-29-40-39-20-8-14-26-48(39)53-49(40)32-35)34-28-30-46-41(31-34)38-19-7-12-24-45(38)52(46)33-15-3-2-4-16-33/h2-32H,1H3
InChIKeyWUROHMHMIDYURT-UHFFFAOYSA-N
MW694.90 g/mol
LogP13.96
Rot. Bonds5

About N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine

N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine (PubChem CID 129293035) has the molecular formula C50H34N2S and a molecular weight of 694.90 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine
PubChem CID129293035
Molecular FormulaC50H34N2S
Molecular Weight694.90 g/mol
Exact Mass694.24
IUPAC NameN-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine
SMILESCC1(c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C50H34N2S/c1-50(42-21-9-5-17-36(42)37-18-6-10-22-43(37)50)44-23-11-13-25-47(44)51(35-27-29-40-39-20-8-14-26-48(39)53-49(40)32-35)34-28-30-46-41(31-34)38-19-7-12-24-45(38)52(46)33-15-3-2-4-16-33/h2-32H,1H3
InChIKeyWUROHMHMIDYURT-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.90
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-3-yl-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167285475
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 167324605
N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
CID 165155434
N-chrysen-1-yl-N-dibenzothiophen-2-yl-9-phenylcarbazol-3-amine
CID 170139043
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
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-(9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)-N,9-diphenylcarbazol-3-amine
CID 162475527
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502523
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-di(dibenzofuran-2-yl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-di(dibenzothiophen-3-yl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,4-N,9-N,9-N,15-pentakis-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N,15-triphenyl-4-N,9-N-bis(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N,15-triphenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine
CID 159087544
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzothiophen-3-amine
CID 160655489

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine (CID 129293035) is N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine is CC1(c2ccccc2N(c2ccc3c(c2)sc2ccccc23)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine?
The InChIKey is WUROHMHMIDYURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2S/c1-50(42-21-9-5-17-36(42)37-18-6-10-22-43(37)50)44-23-11-13-25-47(44)51(35-27-29-40-39-20-8-14-26-48(39)53-49(40)32-35)34-28-30-46-41(31-34)38-19-7-12-24-45(38)52(46)33-15-3-2-4-16-33/h2-32H,1H3.
What are the key properties of N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine?
N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine has a molecular weight of 694.90 g/mol, XLogP of 13.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-[2-(9-methylfluoren-9-yl)phenyl]-9-phenylcarbazol-3-amine is sourced from PubChem (CID 129293035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).