9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine

C49H42N4 — CID 145345791

IUPAC9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine
SMILESC=CC1c2ccc(-n3c4c(c5c(Nc6ccc7c(c6)C6C=CC=CC6N7c6ccccc6)cccc53)CCC=C4)cc2N(c2ccccc2)C1/C=C\C
InChIInChI=1S/C49H42N4/c1-3-16-43-37(4-2)39-29-28-36(32-48(39)52(43)35-19-9-6-10-20-35)53-45-25-14-12-22-40(45)49-42(23-15-26-47(49)53)50-33-27-30-46-41(31-33)38-21-11-13-24-44(38)51(46)34-17-7-5-8-18-34/h3-11,13-21,23-32,37-38,43-44,50H,2,12,22H2,1H3/b16-3-
InChIKeyUHQBNUFATOOACO-XFQLMFQHSA-N
MW686.90 g/mol
LogP12.43
Rot. Bonds7

About 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine

9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine (PubChem CID 145345791) has the molecular formula C49H42N4 and a molecular weight of 686.90 g/mol. Its IUPAC name is 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine.

Molecular Properties

Compound Name9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine
PubChem CID145345791
Molecular FormulaC49H42N4
Molecular Weight686.90 g/mol
Exact Mass686.34
IUPAC Name9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine
SMILESC=CC1c2ccc(-n3c4c(c5c(Nc6ccc7c(c6)C6C=CC=CC6N7c6ccccc6)cccc53)CCC=C4)cc2N(c2ccccc2)C1/C=C\C
InChIInChI=1S/C49H42N4/c1-3-16-43-37(4-2)39-29-28-36(32-48(39)52(43)35-19-9-6-10-20-35)53-45-25-14-12-22-40(45)49-42(23-15-26-47(49)53)50-33-27-30-46-41(31-33)38-21-11-13-24-44(38)51(46)34-17-7-5-8-18-34/h3-11,13-21,23-32,37-38,43-44,50H,2,12,22H2,1H3/b16-3-
InChIKeyUHQBNUFATOOACO-XFQLMFQHSA-N
XLogP12.43
TPSA23.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.90
LogP ≤ 512.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine with MolForge

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Related Compounds

(4aR)-9-[8-[(2S)-3-ethenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-1-yl]dibenzothiophen-2-yl]-4a,9a-dihydrocarbazole
CID 126685714
4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450
9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1,3,5,7,10,12,16,18,20,22,24-undecaene
CID 145280602
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazol-3-amine
CID 71016335
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
(10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne
CID 167114097
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 146356785

Frequently Asked Questions

What is the IUPAC name of 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine?
The IUPAC name of 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine (CID 145345791) is 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine.
What is the SMILES notation for 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine?
The canonical SMILES for 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine is C=CC1c2ccc(-n3c4c(c5c(Nc6ccc7c(c6)C6C=CC=CC6N7c6ccccc6)cccc53)CCC=C4)cc2N(c2ccccc2)C1/C=C\C.
What is the InChIKey of 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine?
The InChIKey is UHQBNUFATOOACO-XFQLMFQHSA-N. The full InChI is InChI=1S/C49H42N4/c1-3-16-43-37(4-2)39-29-28-36(32-48(39)52(43)35-19-9-6-10-20-35)53-45-25-14-12-22-40(45)49-42(23-15-26-47(49)53)50-33-27-30-46-41(31-33)38-21-11-13-24-44(38)51(46)34-17-7-5-8-18-34/h3-11,13-21,23-32,37-38,43-44,50H,2,12,22H2,1H3/b16-3-.
What are the key properties of 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine?
9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine has a molecular weight of 686.90 g/mol, XLogP of 12.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]-2,3-dihydroindol-6-yl]-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5,6-dihydrocarbazol-4-amine is sourced from PubChem (CID 145345791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).