6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine

C49H33N3 — CID 145167297

IUPAC6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine
SMILESC/C=C\C1=C(N)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccccc5)ccc43)c3cccc1c23
InChIInChI=1S/C49H33N3/c1-2-11-37-36-17-10-18-38-44(25-22-39(48(36)38)49(37)50)52-43-19-9-8-16-35(43)40-27-32(21-24-46(40)52)33-20-23-45-41(28-33)42-26-30-12-6-7-13-31(30)29-47(42)51(45)34-14-4-3-5-15-34/h2-29H,50H2,1H3/b11-2-
InChIKeyGDPOCQKHKJLMMV-FUQNDXKWSA-N
MW663.82 g/mol
LogP12.57
Rot. Bonds4

About 6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine

6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine (PubChem CID 145167297) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine.

Molecular Properties

Compound Name6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine
PubChem CID145167297
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine
SMILESC/C=C\C1=C(N)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccccc5)ccc43)c3cccc1c23
InChIInChI=1S/C49H33N3/c1-2-11-37-36-17-10-18-38-44(25-22-39(48(36)38)49(37)50)52-43-19-9-8-16-35(43)40-27-32(21-24-46(40)52)33-20-23-45-41(28-33)42-26-30-12-6-7-13-31(30)29-47(42)51(45)34-14-4-3-5-15-34/h2-29H,50H2,1H3/b11-2-
InChIKeyGDPOCQKHKJLMMV-FUQNDXKWSA-N
XLogP12.57
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
2-(7-fluoranthen-3-ylbenzo[c]carbazol-10-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;5-fluoranthen-3-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;5-(3-fluoranthen-3-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-(3-fluoranthen-3-ylphenyl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 161437853
5-(3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-6-yl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 130326392
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 137420887
2-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;6-(3-carbazol-9-ylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-(3-phenylcarbazol-9-yl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene;6-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaene
CID 161334745
3-[9-[8-(3,5-dimethylphenyl)fluoranthen-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 71291322
6-[9-(4-naphthalen-1-ylnaphthalen-1-yl)carbazol-3-yl]-2-[9-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420798
3-[9-(4-naphthalen-2-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-naphthalen-1-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159264413
5-fluoranthen-3-ylbenzo[b]carbazole;7-(3-fluoranthen-8-ylphenyl)benzo[c]carbazole;7-(4-fluoranthen-8-ylphenyl)benzo[c]carbazole
CID 162167913
3-[2-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764137

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine?
The IUPAC name of 6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine (CID 145167297) is 6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine.
What is the SMILES notation for 6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine?
The canonical SMILES for 6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine is C/C=C\C1=C(N)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7ccccc7cc5n6-c5ccccc5)ccc43)c3cccc1c23.
What is the InChIKey of 6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine?
The InChIKey is GDPOCQKHKJLMMV-FUQNDXKWSA-N. The full InChI is InChI=1S/C49H33N3/c1-2-11-37-36-17-10-18-38-44(25-22-39(48(36)38)49(37)50)52-43-19-9-8-16-35(43)40-27-32(21-24-46(40)52)33-20-23-45-41(28-33)42-26-30-12-6-7-13-31(30)29-47(42)51(45)34-14-4-3-5-15-34/h2-29H,50H2,1H3/b11-2-.
What are the key properties of 6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine?
6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine has a molecular weight of 663.82 g/mol, XLogP of 12.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-phenylbenzo[b]carbazol-2-yl)carbazol-9-yl]-2-[(Z)-prop-1-enyl]acenaphthylen-1-amine is sourced from PubChem (CID 145167297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).