N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine

C52H39N3O — CID 163673810

IUPACN-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine
SMILESCCc1ccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3c2ccc2ccccc32)cc1N(c1cccc2ccccc12)C1C=CC=CC1
InChIInChI=1S/C52H39N3O/c1-2-35-27-29-39(33-50(35)53(38-18-4-3-5-19-38)45-26-14-17-36-15-6-8-20-41(36)45)55-48-32-30-40(54-46-24-12-10-22-43(46)44-23-11-13-25-47(44)54)34-51(48)56-52-42-21-9-7-16-37(42)28-31-49(52)55/h3-18,20-34,38H,2,19H2,1H3
InChIKeyJEWPMSILFQWYIK-UHFFFAOYSA-N
MW721.90 g/mol
LogP14.25
Rot. Bonds6

About N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine

N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine (PubChem CID 163673810) has the molecular formula C52H39N3O and a molecular weight of 721.90 g/mol. Its IUPAC name is N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine
PubChem CID163673810
Molecular FormulaC52H39N3O
Molecular Weight721.90 g/mol
Exact Mass721.31
IUPAC NameN-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine
SMILESCCc1ccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3c2ccc2ccccc32)cc1N(c1cccc2ccccc12)C1C=CC=CC1
InChIInChI=1S/C52H39N3O/c1-2-35-27-29-39(33-50(35)53(38-18-4-3-5-19-38)45-26-14-17-36-15-6-8-20-41(36)45)55-48-32-30-40(54-46-24-12-10-22-43(46)44-23-11-13-25-47(44)54)34-51(48)56-52-42-21-9-7-16-37(42)28-31-49(52)55/h3-18,20-34,38H,2,19H2,1H3
InChIKeyJEWPMSILFQWYIK-UHFFFAOYSA-N
XLogP14.25
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.90
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine?
The IUPAC name of N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine (CID 163673810) is N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine is CCc1ccc(N2c3ccc(-n4c5ccccc5c5ccccc54)cc3Oc3c2ccc2ccccc32)cc1N(c1cccc2ccccc12)C1C=CC=CC1.
What is the InChIKey of N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine?
The InChIKey is JEWPMSILFQWYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N3O/c1-2-35-27-29-39(33-50(35)53(38-18-4-3-5-19-38)45-26-14-17-36-15-6-8-20-41(36)45)55-48-32-30-40(54-46-24-12-10-22-43(46)44-23-11-13-25-47(44)54)34-51(48)56-52-42-21-9-7-16-37(42)28-31-49(52)55/h3-18,20-34,38H,2,19H2,1H3.
What are the key properties of N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine?
N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine has a molecular weight of 721.90 g/mol, XLogP of 14.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(10-carbazol-9-ylbenzo[c]phenoxazin-7-yl)-2-ethylphenyl]-N-cyclohexa-2,4-dien-1-ylnaphthalen-1-amine is sourced from PubChem (CID 163673810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).