N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine

C50H34N2 — CID 155305653

IUPACN,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccccc4)c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H34N2/c1-4-17-35(18-5-1)36-31-33-37(34-32-36)48-42-25-12-10-23-40(42)41-24-11-13-26-43(41)50(48)52(39-21-8-3-9-22-39)47-30-16-29-46-49(47)44-27-14-15-28-45(44)51(46)38-19-6-2-7-20-38/h1-34H
InChIKeyJJCAAZXXNXDACD-UHFFFAOYSA-N
MW662.84 g/mol
LogP13.89
Rot. Bonds6

About N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine

N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine (PubChem CID 155305653) has the molecular formula C50H34N2 and a molecular weight of 662.84 g/mol. Its IUPAC name is N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine
PubChem CID155305653
Molecular FormulaC50H34N2
Molecular Weight662.84 g/mol
Exact Mass662.27
IUPAC NameN,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccccc4)c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H34N2/c1-4-17-35(18-5-1)36-31-33-37(34-32-36)48-42-25-12-10-23-40(42)41-24-11-13-26-43(41)50(48)52(39-21-8-3-9-22-39)47-30-16-29-46-49(47)44-27-14-15-28-45(44)51(46)38-19-6-2-7-20-38/h1-34H
InChIKeyJJCAAZXXNXDACD-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.84
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(13,20-diphenyl-3-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 166032620
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
CID 169064644
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
CID 155004275
9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377540
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
[4-(4-phenyl-N-(9-phenylcarbazol-4-yl)anilino)phenyl]boronic acid
CID 171410503
9-phenyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazol-4-amine
CID 176878123
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 134369862
N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 170138451

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine?
The IUPAC name of N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine (CID 155305653) is N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine.
What is the SMILES notation for N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine?
The canonical SMILES for N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine is c1ccc(-c2ccc(-c3c(N(c4ccccc4)c4cccc5c4c4ccccc4n5-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine?
The InChIKey is JJCAAZXXNXDACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N2/c1-4-17-35(18-5-1)36-31-33-37(34-32-36)48-42-25-12-10-23-40(42)41-24-11-13-26-43(41)50(48)52(39-21-8-3-9-22-39)47-30-16-29-46-49(47)44-27-14-15-28-45(44)51(46)38-19-6-2-7-20-38/h1-34H.
What are the key properties of N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine?
N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine has a molecular weight of 662.84 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[10-(4-phenylphenyl)phenanthren-9-yl]carbazol-4-amine is sourced from PubChem (CID 155305653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).