N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine

C46H28N2O2 — CID 170033858

IUPACN-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C46H28N2O2/c1-2-11-30(12-3-1)48-39-17-7-4-13-34(39)35-25-23-32(28-41(35)48)47(40-18-10-16-37-36-14-5-8-19-42(36)50-46(37)40)31-22-24-33-29(27-31)21-26-44-45(33)38-15-6-9-20-43(38)49-44/h1-28H
InChIKeyCWZRQQQHVPUFNI-UHFFFAOYSA-N
MW640.74 g/mol
LogP13.21
Rot. Bonds4

About N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine

N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine (PubChem CID 170033858) has the molecular formula C46H28N2O2 and a molecular weight of 640.74 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
PubChem CID170033858
Molecular FormulaC46H28N2O2
Molecular Weight640.74 g/mol
Exact Mass640.22
IUPAC NameN-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C46H28N2O2/c1-2-11-30(12-3-1)48-39-17-7-4-13-34(39)35-25-23-32(28-41(35)48)47(40-18-10-16-37-36-14-5-8-19-42(36)50-46(37)40)31-22-24-33-29(27-31)21-26-44-45(33)38-15-6-9-20-43(38)49-44/h1-28H
InChIKeyCWZRQQQHVPUFNI-UHFFFAOYSA-N
XLogP13.21
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.74
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814340
N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
CID 138549038
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-dinaphthalen-2-yl-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163652671
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
1-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-3-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165100734
N-dibenzofuran-4-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124467
6-N,18-N-di(dibenzofuran-4-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-di(dibenzothiophen-2-yl)-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,18-N-diphenyl-6-N,18-N-bis(9-phenylcarbazol-2-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163713073
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033935
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine (CID 170033858) is N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6oc7ccccc7c65)c4)c4cccc5c4oc4ccccc45)cc32)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
The InChIKey is CWZRQQQHVPUFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2/c1-2-11-30(12-3-1)48-39-17-7-4-13-34(39)35-25-23-32(28-41(35)48)47(40-18-10-16-37-36-14-5-8-19-42(36)50-46(37)40)31-22-24-33-29(27-31)21-26-44-45(33)38-15-6-9-20-43(38)49-44/h1-28H.
What are the key properties of N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine?
N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine has a molecular weight of 640.74 g/mol, XLogP of 13.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170033858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).