9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine

C42H34N2 — CID 58827498

IUPAC9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1c2ccccc2cc2ccccc12
InChIInChI=1S/C42H34N2/c1-42(2,3)31-22-24-39-37(27-31)38-28-34(43(32-16-6-4-7-17-32)33-18-8-5-9-19-33)23-25-40(38)44(39)41-35-20-12-10-14-29(35)26-30-15-11-13-21-36(30)41/h4-28H,1-3H3
InChIKeyLWEYTJZRMDNOKT-UHFFFAOYSA-N
MW566.75 g/mol
LogP11.86
Rot. Bonds4

About 9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine

9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine (PubChem CID 58827498) has the molecular formula C42H34N2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine
PubChem CID58827498
Molecular FormulaC42H34N2
Molecular Weight566.75 g/mol
Exact Mass566.27
IUPAC Name9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1c2ccccc2cc2ccccc12
InChIInChI=1S/C42H34N2/c1-42(2,3)31-22-24-39-37(27-31)38-28-34(43(32-16-6-4-7-17-32)33-18-8-5-9-19-33)23-25-40(38)44(39)41-35-20-12-10-14-29(35)26-30-15-11-13-21-36(30)41/h4-28H,1-3H3
InChIKeyLWEYTJZRMDNOKT-UHFFFAOYSA-N
XLogP11.86
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-N-[6-tert-butyl-9-(4-phenylphenyl)carbazol-3-yl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59844233
1-N,3-N-bis(6-tert-butyl-9-naphthalen-1-ylcarbazol-3-yl)-3-N-naphthalen-1-yl-1-N-phenylbenzene-1,3-diamine
CID 88673327
3-(3,6-ditert-butylcarbazol-9-yl)-N,N-diphenylaniline
CID 175173187
1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine
CID 59816073
1-N,3-N-bis[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816003
3-N,6-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-3-N,6-N-dinaphthalen-1-yl-9-phenylcarbazole-3,6-diamine
CID 59132897
9-[4-[3-tert-butyl-10-(4-phenylphenyl)anthracen-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 59844640
N-[4-[3-tert-butyl-10-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 87401325
N,9-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]carbazol-3-amine
CID 168810563
10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
CID 146376598
9-(3,5-ditert-butylphenyl)-N,N-di(phenanthren-2-yl)carbazol-3-amine
CID 162452335
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733

Frequently Asked Questions

What is the IUPAC name of 9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine (CID 58827498) is 9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine is CC(C)(C)c1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2-c1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine?
The InChIKey is LWEYTJZRMDNOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2/c1-42(2,3)31-22-24-39-37(27-31)38-28-34(43(32-16-6-4-7-17-32)33-18-8-5-9-19-33)23-25-40(38)44(39)41-35-20-12-10-14-29(35)26-30-15-11-13-21-36(30)41/h4-28H,1-3H3.
What are the key properties of 9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine?
9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine has a molecular weight of 566.75 g/mol, XLogP of 11.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 58827498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).