9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine

C104H76N4 — CID 160993422

IUPAC9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
SMILESCC(C)(C)n1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccccc34)c2)cc1
InChIInChI=1S/C56H38N2.C48H38N2/c1-4-17-39(18-5-1)41-19-16-20-42(37-41)56-50-28-12-10-26-48(50)55(49-27-11-13-29-51(49)56)40-31-33-45(34-32-40)57(43-21-6-2-7-22-43)46-35-36-54-52(38-46)47-25-14-15-30-53(47)58(54)44-23-8-3-9-24-44;1-48(2,3)50-44-25-15-14-20-38(44)43-32-37(30-31-45(43)50)49(35-18-8-5-9-19-35)36-28-26-34(27-29-36)47-41-23-12-10-21-39(41)46(33-16-6-4-7-17-33)40-22-11-13-24-42(40)47/h1-38H;4-32H,1-3H3
InChIKeyTUXUYFTYTXXLGY-UHFFFAOYSA-N
MW1381.78 g/mol
LogP29.22
Rot. Bonds12

About 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine

9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine (PubChem CID 160993422) has the molecular formula C104H76N4 and a molecular weight of 1381.78 g/mol. Its IUPAC name is 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
PubChem CID160993422
Molecular FormulaC104H76N4
Molecular Weight1381.78 g/mol
Exact Mass1380.61
IUPAC Name9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
SMILESCC(C)(C)n1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccccc34)c2)cc1
InChIInChI=1S/C56H38N2.C48H38N2/c1-4-17-39(18-5-1)41-19-16-20-42(37-41)56-50-28-12-10-26-48(50)55(49-27-11-13-29-51(49)56)40-31-33-45(34-32-40)57(43-21-6-2-7-22-43)46-35-36-54-52(38-46)47-25-14-15-30-53(47)58(54)44-23-8-3-9-24-44;1-48(2,3)50-44-25-15-14-20-38(44)43-32-37(30-31-45(43)50)49(35-18-8-5-9-19-35)36-28-26-34(27-29-36)47-41-23-12-10-21-39(41)46(33-16-6-4-7-17-33)40-22-11-13-24-42(40)47/h1-38H;4-32H,1-3H3
InChIKeyTUXUYFTYTXXLGY-UHFFFAOYSA-N
XLogP29.22
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001381.78
LogP ≤ 529.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine with MolForge

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Related Compounds

N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine
CID 161188379
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 157146529
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
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
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
The IUPAC name of 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine (CID 160993422) is 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
The canonical SMILES for 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine is CC(C)(C)n1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc(N(c5ccccc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)c4ccccc34)c2)cc1.
What is the InChIKey of 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
The InChIKey is TUXUYFTYTXXLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2.C48H38N2/c1-4-17-39(18-5-1)41-19-16-20-42(37-41)56-50-28-12-10-26-48(50)55(49-27-11-13-29-51(49)56)40-31-33-45(34-32-40)57(43-21-6-2-7-22-43)46-35-36-54-52(38-46)47-25-14-15-30-53(47)58(54)44-23-8-3-9-24-44;1-48(2,3)50-44-25-15-14-20-38(44)43-32-37(30-31-45(43)50)49(35-18-8-5-9-19-35)36-28-26-34(27-29-36)47-41-23-12-10-21-39(41)46(33-16-6-4-7-17-33)40-22-11-13-24-42(40)47/h1-38H;4-32H,1-3H3.
What are the key properties of 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine?
9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine has a molecular weight of 1381.78 g/mol, XLogP of 29.22, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 160993422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).