10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane

C59H51N3 — CID 142935422

IUPAC10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane
SMILESC/C=C\c1c(C)n(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)cc2)c2ccccc12.CC
InChIInChI=1S/C57H45N3.C2H6/c1-5-16-46-38(2)58(52-22-11-6-17-47(46)52)43-31-27-39(28-32-43)41-35-42(37-45(36-41)60-55-25-14-9-20-50(55)57(3,4)51-21-10-15-26-56(51)60)40-29-33-44(34-30-40)59-53-23-12-7-18-48(53)49-19-8-13-24-54(49)59;1-2/h5-37H,1-4H3;1-2H3/b16-5-;
InChIKeyNZAJCJUPLWZQFV-ZTQBIIPRSA-N
MW802.08 g/mol
LogP16.54
Rot. Bonds6

About 10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane

10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane (PubChem CID 142935422) has the molecular formula C59H51N3 and a molecular weight of 802.08 g/mol. Its IUPAC name is 10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane.

Molecular Properties

Compound Name10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane
PubChem CID142935422
Molecular FormulaC59H51N3
Molecular Weight802.08 g/mol
Exact Mass801.41
IUPAC Name10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane
SMILESC/C=C\c1c(C)n(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)cc2)c2ccccc12.CC
InChIInChI=1S/C57H45N3.C2H6/c1-5-16-46-38(2)58(52-22-11-6-17-47(46)52)43-31-27-39(28-32-43)41-35-42(37-45(36-41)60-55-25-14-9-20-50(55)57(3,4)51-21-10-15-26-56(51)60)40-29-33-44(34-30-40)59-53-23-12-7-18-48(53)49-19-8-13-24-54(49)59;1-2/h5-37H,1-4H3;1-2H3/b16-5-;
InChIKeyNZAJCJUPLWZQFV-ZTQBIIPRSA-N
XLogP16.54
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.08
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine;9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine;9-[4-(3,5-diphenylphenyl)phenyl]carbazole
CID 160816832
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
9,9-dimethyl-10-[4-(9-methylcarbazol-3-yl)phenyl]acridine
CID 130353436
10-[3-(9,9-dimethylacridin-10-yl)-5-(3-triphenylen-2-ylphenyl)phenyl]-9,9-dimethylacridine
CID 59399549
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]aniline
CID 90201353
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]aniline
CID 90201363
2-methyl-1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
CID 144585528

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane?
The IUPAC name of 10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane (CID 142935422) is 10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane.
What is the SMILES notation for 10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane?
The canonical SMILES for 10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane is C/C=C\c1c(C)n(-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc(N4c5ccccc5C(C)(C)c5ccccc54)c3)cc2)c2ccccc12.CC.
What is the InChIKey of 10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane?
The InChIKey is NZAJCJUPLWZQFV-ZTQBIIPRSA-N. The full InChI is InChI=1S/C57H45N3.C2H6/c1-5-16-46-38(2)58(52-22-11-6-17-47(46)52)43-31-27-39(28-32-43)41-35-42(37-45(36-41)60-55-25-14-9-20-50(55)57(3,4)51-21-10-15-26-56(51)60)40-29-33-44(34-30-40)59-53-23-12-7-18-48(53)49-19-8-13-24-54(49)59;1-2/h5-37H,1-4H3;1-2H3/b16-5-;.
What are the key properties of 10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane?
10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane has a molecular weight of 802.08 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane is sourced from PubChem (CID 142935422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).