N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine

C46H30N2O2 — CID 170034511

IUPACN-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine
SMILESC1=C(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)CCc2c1oc1ccc3ccccc3c21
InChIInChI=1S/C46H30N2O2/c1-2-11-30(12-3-1)48-40-16-8-6-14-35(40)36-22-19-31(26-41(36)48)47(32-20-23-38-37-15-7-9-17-42(37)49-44(38)27-32)33-21-24-39-45(28-33)50-43-25-18-29-10-4-5-13-34(29)46(39)43/h1-20,22-23,25-28H,21,24H2
InChIKeyAVWFFZPOLVJWGS-UHFFFAOYSA-N
MW642.76 g/mol
LogP12.71
Rot. Bonds4

About N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine

N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine (PubChem CID 170034511) has the molecular formula C46H30N2O2 and a molecular weight of 642.76 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine
PubChem CID170034511
Molecular FormulaC46H30N2O2
Molecular Weight642.76 g/mol
Exact Mass642.23
IUPAC NameN-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine
SMILESC1=C(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)CCc2c1oc1ccc3ccccc3c21
InChIInChI=1S/C46H30N2O2/c1-2-11-30(12-3-1)48-40-16-8-6-14-35(40)36-22-19-31(26-41(36)48)47(32-20-23-38-37-15-7-9-17-42(37)49-44(38)27-32)33-21-24-39-45(28-33)50-43-25-18-29-10-4-5-13-34(29)46(39)43/h1-20,22-23,25-28H,21,24H2
InChIKeyAVWFFZPOLVJWGS-UHFFFAOYSA-N
XLogP12.71
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzo[c]phenanthren-5-yl-N-dibenzofuran-3-yl-9-phenylcarbazol-2-amine
CID 167183111
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042433
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
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-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033598
N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine
CID 167243662
N-dibenzofuran-3-yl-N-dibenzoselenophen-3-yl-9-phenylcarbazol-2-amine
CID 159956564
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
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-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine (CID 170034511) is N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine is C1=C(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)CCc2c1oc1ccc3ccccc3c21.
What is the InChIKey of N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine?
The InChIKey is AVWFFZPOLVJWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O2/c1-2-11-30(12-3-1)48-40-16-8-6-14-35(40)36-22-19-31(26-41(36)48)47(32-20-23-38-37-15-7-9-17-42(37)49-44(38)27-32)33-21-24-39-45(28-33)50-43-25-18-29-10-4-5-13-34(29)46(39)43/h1-20,22-23,25-28H,21,24H2.
What are the key properties of N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine?
N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine has a molecular weight of 642.76 g/mol, XLogP of 12.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-(10,11-dihydronaphtho[2,1-b][1]benzofuran-9-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170034511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).