N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine

C46H30N2O2 — CID 170033855

IUPACN-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)CCc4oc6ccccc6c4-5)c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C46H30N2O2/c1-2-10-30(11-3-1)48-40-15-7-4-12-35(40)36-23-20-33(28-41(36)48)47(32-21-25-44-39(27-32)37-13-5-8-16-42(37)49-44)31-19-22-34-29(26-31)18-24-45-46(34)38-14-6-9-17-43(38)50-45/h1-17,19-23,25-28H,18,24H2
InChIKeyHOAMGWRUYXJRLZ-UHFFFAOYSA-N
MW642.76 g/mol
LogP12.66
Rot. Bonds4

About N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine

N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine (PubChem CID 170033855) has the molecular formula C46H30N2O2 and a molecular weight of 642.76 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine
PubChem CID170033855
Molecular FormulaC46H30N2O2
Molecular Weight642.76 g/mol
Exact Mass642.23
IUPAC NameN-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)CCc4oc6ccccc6c4-5)c4ccc5oc6ccccc6c5c4)cc32)cc1
InChIInChI=1S/C46H30N2O2/c1-2-10-30(11-3-1)48-40-15-7-4-12-35(40)36-23-20-33(28-41(36)48)47(32-21-25-44-39(27-32)37-13-5-8-16-42(37)49-44)31-19-22-34-29(26-31)18-24-45-46(34)38-14-6-9-17-43(38)50-45/h1-17,19-23,25-28H,18,24H2
InChIKeyHOAMGWRUYXJRLZ-UHFFFAOYSA-N
XLogP12.66
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 ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-2-yl-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenylcarbazol-2-amine
CID 167357231
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
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-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 171057527
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
5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 122634225
N-dibenzofuran-2-yl-N-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-9-phenylcarbazol-2-amine
CID 121357340
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
5-[7-(N-dibenzofuran-2-ylanilino)-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588588
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine (CID 170033855) is N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(c4)CCc4oc6ccccc6c4-5)c4ccc5oc6ccccc6c5c4)cc32)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine?
The InChIKey is HOAMGWRUYXJRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O2/c1-2-10-30(11-3-1)48-40-15-7-4-12-35(40)36-23-20-33(28-41(36)48)47(32-21-25-44-39(27-32)37-13-5-8-16-42(37)49-44)31-19-22-34-29(26-31)18-24-45-46(34)38-14-6-9-17-43(38)50-45/h1-17,19-23,25-28H,18,24H2.
What are the key properties of N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine?
N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine has a molecular weight of 642.76 g/mol, XLogP of 12.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(5,6-dihydronaphtho[2,1-b][1]benzofuran-3-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170033855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).