4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline

C54H37N — CID 167184269

IUPAC4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccc6ccc7ccccc7c6c45)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C54H37N/c1-4-13-38(14-5-1)40-27-31-46(32-28-40)55(47-33-29-41(30-34-47)39-15-6-2-7-16-39)48-35-36-50(52(37-48)42-17-8-3-9-18-42)51-22-12-20-44-25-26-45-24-23-43-19-10-11-21-49(43)53(45)54(44)51/h1-37H
InChIKeySQVBADRBVZHTBZ-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About 4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline

4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline (PubChem CID 167184269) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is 4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline
PubChem CID167184269
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC Name4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccc6ccc7ccccc7c6c45)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C54H37N/c1-4-13-38(14-5-1)40-27-31-46(32-28-40)55(47-33-29-41(30-34-47)39-15-6-2-7-16-39)48-35-36-50(52(37-48)42-17-8-3-9-18-42)51-22-12-20-44-25-26-45-24-23-43-19-10-11-21-49(43)53(45)54(44)51/h1-37H
InChIKeySQVBADRBVZHTBZ-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(3-benzo[c]phenanthren-1-ylphenyl)-N,3-diphenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167183655
N-(4-benzo[g]phenanthren-4-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167183300
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167182181
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-phenanthren-2-yl-N-(4-phenylphenyl)fluoranthen-8-amine
CID 166875448
N-(3,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177081043
N-(4-benzo[c]phenanthren-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 167183736
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
CID 122470453
N-(3,4-diphenylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-3-amine
CID 177080941
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967

Frequently Asked Questions

What is the IUPAC name of 4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline (CID 167184269) is 4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5ccc6ccc7ccccc7c6c45)c(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is SQVBADRBVZHTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-4-13-38(14-5-1)40-27-31-46(32-28-40)55(47-33-29-41(30-34-47)39-15-6-2-7-16-39)48-35-36-50(52(37-48)42-17-8-3-9-18-42)51-22-12-20-44-25-26-45-24-23-43-19-10-11-21-49(43)53(45)54(44)51/h1-37H.
What are the key properties of 4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[c]phenanthren-1-yl-3-phenyl-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 167184269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).