1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole

C33H25N — CID 170226579

IUPAC1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole
SMILESC=Cc1c(/C=C\C)cc2ccccc2c1-c1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C33H25N/c1-3-13-23-22-24-14-8-9-17-27(24)32(26(23)4-2)30-20-12-19-29-28-18-10-11-21-31(28)34(33(29)30)25-15-6-5-7-16-25/h3-22H,2H2,1H3/b13-3-
InChIKeyKGIUISIADFJRJT-DXNYSGJVSA-N
MW435.57 g/mol
LogP9.28
Rot. Bonds4

About 1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole

1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole (PubChem CID 170226579) has the molecular formula C33H25N and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole
PubChem CID170226579
Molecular FormulaC33H25N
Molecular Weight435.57 g/mol
Exact Mass435.20
IUPAC Name1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole
SMILESC=Cc1c(/C=C\C)cc2ccccc2c1-c1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C33H25N/c1-3-13-23-22-24-14-8-9-17-27(24)32(26(23)4-2)30-20-12-19-29-28-18-10-11-21-31(28)34(33(29)30)25-15-6-5-7-16-25/h3-22H,2H2,1H3/b13-3-
InChIKeyKGIUISIADFJRJT-DXNYSGJVSA-N
XLogP9.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 167157398
1-(10-naphthalen-1-ylanthracen-9-yl)-9-phenylcarbazole
CID 167187306
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
12-[4-[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-2-yl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 144788021
1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155335011
11-[4,6-bis(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 166512002
1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 139342063
16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154975124
1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
CID 71127177
5-[1-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146621965
13-ethenyl-9,14,23-triphenyl-12-[(Z)-prop-1-enyl]-9,14,23-triazahexacyclo[14.7.0.02,10.03,8.011,15.017,22]tricosa-1,3,5,7,10,12,15,17,19,21-decaene
CID 144536744
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-ethenyl-9-phenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-b]carbazole
CID 138534156

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole?
The IUPAC name of 1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole (CID 170226579) is 1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole is C=Cc1c(/C=C\C)cc2ccccc2c1-c1cccc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole?
The InChIKey is KGIUISIADFJRJT-DXNYSGJVSA-N. The full InChI is InChI=1S/C33H25N/c1-3-13-23-22-24-14-8-9-17-27(24)32(26(23)4-2)30-20-12-19-29-28-18-10-11-21-31(28)34(33(29)30)25-15-6-5-7-16-25/h3-22H,2H2,1H3/b13-3-.
What are the key properties of 1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole?
1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole has a molecular weight of 435.57 g/mol, XLogP of 9.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 170226579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).