N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine

C32H25N — CID 58526455

IUPACN,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc3ccc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C32H25N/c1-22-11-17-26(18-12-22)33(27-19-13-23(2)14-20-27)31-21-25-16-15-24-7-3-4-8-28(24)32(25)30-10-6-5-9-29(30)31/h3-21H,1-2H3
InChIKeyBEDCMQMQYFCJOS-UHFFFAOYSA-N
MW423.56 g/mol
LogP9.23
Rot. Bonds3

About N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine

N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine (PubChem CID 58526455) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine
PubChem CID58526455
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC NameN,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc3ccc4ccccc4c3c3ccccc23)cc1
InChIInChI=1S/C32H25N/c1-22-11-17-26(18-12-22)33(27-19-13-23(2)14-20-27)31-21-25-16-15-24-7-3-4-8-28(24)32(25)30-10-6-5-9-29(30)31/h3-21H,1-2H3
InChIKeyBEDCMQMQYFCJOS-UHFFFAOYSA-N
XLogP9.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 59.23
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

1-N,4-N-bis(4-methylphenyl)-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine
CID 58612530
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 167183072
N-[4-[3-[4-[3-(N-benzo[c]phenanthren-5-yl-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 170226506
9-N,9-N,20-N,20-N-tetrakis(4-methylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene-9,20-diamine
CID 59805356
N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]phenanthren-5-amine
CID 171054209
N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263216
4-N,9-N-bis(4-methylphenyl)-4-N,9-N-bis(4-propan-2-ylphenyl)pyrene-4,9-diamine
CID 59533086
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)benzo[c]phenanthren-5-amine
CID 167184455
N-benzo[c]phenanthren-5-yl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-amine
CID 167183841
N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 91237868
N,N-bis(4-naphthalen-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167411336

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine?
The IUPAC name of N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine (CID 58526455) is N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine.
What is the SMILES notation for N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine?
The canonical SMILES for N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine is Cc1ccc(N(c2ccc(C)cc2)c2cc3ccc4ccccc4c3c3ccccc23)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine?
The InChIKey is BEDCMQMQYFCJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-22-11-17-26(18-12-22)33(27-19-13-23(2)14-20-27)31-21-25-16-15-24-7-3-4-8-28(24)32(25)30-10-6-5-9-29(30)31/h3-21H,1-2H3.
What are the key properties of N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine?
N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine has a molecular weight of 423.56 g/mol, XLogP of 9.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylphenyl)benzo[c]phenanthren-5-amine is sourced from PubChem (CID 58526455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).