N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine

C42H26N2O2 — CID 164934382

IUPACN-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(Nc4ccc(-c5ccc6oc7ccccc7c6c5)c5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C42H26N2O2/c1-2-10-28(11-3-1)44-36-15-7-4-12-30(36)31-20-19-27(25-37(31)44)43-35-22-21-29(41-33-14-6-9-17-39(33)46-42(35)41)26-18-23-40-34(24-26)32-13-5-8-16-38(32)45-40/h1-25,43H
InChIKeyYIQKJBJJCXFIHY-UHFFFAOYSA-N
MW590.68 g/mol
LogP11.99
Rot. Bonds4

About N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine

N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine (PubChem CID 164934382) has the molecular formula C42H26N2O2 and a molecular weight of 590.68 g/mol. Its IUPAC name is N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine
PubChem CID164934382
Molecular FormulaC42H26N2O2
Molecular Weight590.68 g/mol
Exact Mass590.20
IUPAC NameN-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(Nc4ccc(-c5ccc6oc7ccccc7c6c5)c5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C42H26N2O2/c1-2-10-28(11-3-1)44-36-15-7-4-12-30(36)31-20-19-27(25-37(31)44)43-35-22-21-29(41-33-14-6-9-17-39(33)46-42(35)41)26-18-23-40-34(24-26)32-13-5-8-16-38(32)45-40/h1-25,43H
InChIKeyYIQKJBJJCXFIHY-UHFFFAOYSA-N
XLogP11.99
TPSA43.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.68
LogP ≤ 511.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
N-(4-naphthalen-2-ylnaphthalen-1-yl)-9-phenylcarbazol-2-amine
CID 166997506
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
2-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-phenylcarbazole;2-[9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(8-dibenzofuran-4-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;4-(9-phenylcarbazol-2-yl)-9-[4-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenyl]carbazole
CID 167664300
2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
CID 155454186
3-[9-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)carbazol-3-yl]-9-phenylcarbazole
CID 135171680
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
2-[8-(4-dibenzofuran-2-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342631

Frequently Asked Questions

What is the IUPAC name of N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine (CID 164934382) is N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(Nc4ccc(-c5ccc6oc7ccccc7c6c5)c5c4oc4ccccc45)cc32)cc1.
What is the InChIKey of N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine?
The InChIKey is YIQKJBJJCXFIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N2O2/c1-2-10-28(11-3-1)44-36-15-7-4-12-30(36)31-20-19-27(25-37(31)44)43-35-22-21-29(41-33-14-6-9-17-39(33)46-42(35)41)26-18-23-40-34(24-26)32-13-5-8-16-38(32)45-40/h1-25,43H.
What are the key properties of N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine?
N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine has a molecular weight of 590.68 g/mol, XLogP of 11.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 164934382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).