N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C52H36N2O — CID 170126005

IUPACN-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESC1=CC2Oc3ccc4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)ccc4c3C2C=C1
InChIInChI=1S/C52H36N2O/c1-3-11-35(12-4-1)36-19-25-41(26-20-36)53(43-29-31-46-45-15-7-9-17-48(45)54(49(46)34-43)40-13-5-2-6-14-40)42-27-21-37(22-28-42)38-23-30-44-39(33-38)24-32-51-52(44)47-16-8-10-18-50(47)55-51/h1-34,47,50H
InChIKeyWOSIIDHWRMEZSC-UHFFFAOYSA-N
MW704.87 g/mol
LogP13.71
Rot. Bonds6

About N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 170126005) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID170126005
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC NameN-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESC1=CC2Oc3ccc4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)ccc4c3C2C=C1
InChIInChI=1S/C52H36N2O/c1-3-11-35(12-4-1)36-19-25-41(26-20-36)53(43-29-31-46-45-15-7-9-17-48(45)54(49(46)34-43)40-13-5-2-6-14-40)42-27-21-37(22-28-42)38-23-30-44-39(33-38)24-32-51-52(44)47-16-8-10-18-50(47)55-51/h1-34,47,50H
InChIKeyWOSIIDHWRMEZSC-UHFFFAOYSA-N
XLogP13.71
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-7-methyl-9-phenyl-N-(2-phenylphenyl)-6,7-dihydrocarbazol-3-amine
CID 170135922
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 166032415
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176

Frequently Asked Questions

What is the IUPAC name of N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 170126005) is N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is C1=CC2Oc3ccc4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc5)ccc4c3C2C=C1.
What is the InChIKey of N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is WOSIIDHWRMEZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-3-11-35(12-4-1)36-19-25-41(26-20-36)53(43-29-31-46-45-15-7-9-17-48(45)54(49(46)34-43)40-13-5-2-6-14-40)42-27-21-37(22-28-42)38-23-30-44-39(33-38)24-32-51-52(44)47-16-8-10-18-50(47)55-51/h1-34,47,50H.
What are the key properties of N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 704.87 g/mol, XLogP of 13.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 170126005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).