9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)

C136H98N6 — CID 159037190

IUPAC9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
SMILESCCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21
InChIInChI=1S/C46H34N2.2C45H32N2/c1-2-47-43-24-14-13-19-37(43)42-31-36(29-30-44(42)47)48(34-17-7-4-8-18-34)35-27-25-33(26-28-35)46-40-22-11-9-20-38(40)45(32-15-5-3-6-16-32)39-21-10-12-23-41(39)46;2*1-46-42-23-13-12-18-36(42)41-30-35(28-29-43(41)46)47(33-16-6-3-7-17-33)34-26-24-32(25-27-34)45-39-21-10-8-19-37(39)44(31-14-4-2-5-15-31)38-20-9-11-22-40(38)45/h3-31H,2H2,1H3;2*2-30H,1H3
InChIKeyJVPHCCDZCGYSJX-UHFFFAOYSA-N
MW1816.32 g/mol
LogP37.81
Rot. Bonds16

About 9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)

9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine) (PubChem CID 159037190) has the molecular formula C136H98N6 and a molecular weight of 1816.32 g/mol. Its IUPAC name is 9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine).

Molecular Properties

Compound Name9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
PubChem CID159037190
Molecular FormulaC136H98N6
Molecular Weight1816.32 g/mol
Exact Mass1814.79
IUPAC Name9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)
SMILESCCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21
InChIInChI=1S/C46H34N2.2C45H32N2/c1-2-47-43-24-14-13-19-37(43)42-31-36(29-30-44(42)47)48(34-17-7-4-8-18-34)35-27-25-33(26-28-35)46-40-22-11-9-20-38(40)45(32-15-5-3-6-16-32)39-21-10-12-23-41(39)46;2*1-46-42-23-13-12-18-36(42)41-30-35(28-29-43(41)46)47(33-16-6-3-7-17-33)34-26-24-32(25-27-34)45-39-21-10-8-19-37(39)44(31-14-4-2-5-15-31)38-20-9-11-22-40(38)45/h3-31H,2H2,1H3;2*2-30H,1H3
InChIKeyJVPHCCDZCGYSJX-UHFFFAOYSA-N
XLogP37.81
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001816.32
LogP ≤ 537.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-N-[4-[10-[4-(N-(9-ethylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[3-methyl-10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
CID 159034254
9-ethyl-N-[4-[10-[4-(N-(9-ethylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-ethyl-N-[4-[10-[4-(N-(9-ethylcarbazol-3-yl)anilino)phenyl]-3-methylanthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;9-methyl-N-[4-[3-methyl-10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine
CID 158145528
9-methyl-N-phenyl-N-(10-phenylanthracen-9-yl)carbazol-3-amine
CID 58273861
23-ethyl-N,N-bis(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 86677000
9-methyl-N-[4-[10-[4-(N-(9-methylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N-phenylcarbazol-3-amine;N-[4-[3-methyl-10-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine;N-phenyl-9-(4-phenylphenyl)-N-[4-[10-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 161274378
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
23-ethyl-N,N-diphenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-amine
CID 89417765
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
9-butylsulfanyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 89365140
3-N-(9-ethylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275887
9-ethyl-3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylcarbazole-3,6-diamine
CID 53433854
N-[4-(9-methylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631436

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)?
The IUPAC name of 9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine) (CID 159037190) is 9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine).
What is the SMILES notation for 9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)?
The canonical SMILES for 9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine) is CCn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.Cn1c2ccccc2c2cc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc21.
What is the InChIKey of 9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)?
The InChIKey is JVPHCCDZCGYSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2.2C45H32N2/c1-2-47-43-24-14-13-19-37(43)42-31-36(29-30-44(42)47)48(34-17-7-4-8-18-34)35-27-25-33(26-28-35)46-40-22-11-9-20-38(40)45(32-15-5-3-6-16-32)39-21-10-12-23-41(39)46;2*1-46-42-23-13-12-18-36(42)41-30-35(28-29-43(41)46)47(33-16-6-3-7-17-33)34-26-24-32(25-27-34)45-39-21-10-8-19-37(39)44(31-14-4-2-5-15-31)38-20-9-11-22-40(38)45/h3-31H,2H2,1H3;2*2-30H,1H3.
What are the key properties of 9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine)?
9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine) has a molecular weight of 1816.32 g/mol, XLogP of 37.81, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;bis(9-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine) is sourced from PubChem (CID 159037190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).