N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine

C48H30N2O — CID 167183111

IUPACN-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5ccc6ccccc6c5c5ccccc45)cc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-13-33(14-3-1)50-43-20-10-8-16-37(43)39-26-24-34(29-45(39)50)49(35-25-27-41-40-18-9-11-21-46(40)51-47(41)30-35)44-28-32-23-22-31-12-4-5-15-36(31)48(32)42-19-7-6-17-38(42)44/h1-30H
InChIKeyHJWCMKOSEPZUJM-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.61
Rot. Bonds4

About N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine

N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine (PubChem CID 167183111) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine
PubChem CID167183111
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC NameN-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5ccc6ccccc6c5c5ccccc45)cc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-13-33(14-3-1)50-43-20-10-8-16-37(43)39-26-24-34(29-45(39)50)49(35-25-27-41-40-18-9-11-21-46(40)51-47(41)30-35)44-28-32-23-22-31-12-4-5-15-36(31)48(32)42-19-7-6-17-38(42)44/h1-30H
InChIKeyHJWCMKOSEPZUJM-UHFFFAOYSA-N
XLogP13.61
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042433
N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine
CID 170034511
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298904
N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033858
N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
CID 159956564
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-yl)-N,9-diphenylcarbazol-2-amine
CID 170779093

Frequently Asked Questions

What is the IUPAC name of N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine (CID 167183111) is N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4cc5ccc6ccccc6c5c5ccccc45)cc32)cc1.
What is the InChIKey of N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine?
The InChIKey is HJWCMKOSEPZUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-13-33(14-3-1)50-43-20-10-8-16-37(43)39-26-24-34(29-45(39)50)49(35-25-27-41-40-18-9-11-21-46(40)51-47(41)30-35)44-28-32-23-22-31-12-4-5-15-36(31)48(32)42-19-7-6-17-38(42)44/h1-30H.
What are the key properties of N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine?
N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine has a molecular weight of 650.78 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 167183111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).