25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene

C63H42N2 — CID 145085303

IUPAC25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene
SMILESC1=Cc2c(n(-c3ccc(-c4ccc(C5=CCCC=C5)cc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5cccc7c5n6-c5cc6c(cc5-c5ccccc5-7)CCC=C6)cc4)cc23)C=1
InChIInChI=1S/C63H42N2/c1-2-10-40(11-3-1)41-20-22-42(23-21-41)43-28-32-50(33-29-43)64-59-19-9-16-53(59)57-37-48(30-34-60(57)64)44-24-26-45(27-25-44)49-31-35-61-58(38-49)55-18-8-17-54-51-14-6-7-15-52(51)56-36-46-12-4-5-13-47(46)39-62(56)65(61)63(54)55/h2,5-8,10-11,13-39H,1,3-4,12H2
InChIKeyCWSCTVXQWIVXNB-UHFFFAOYSA-N
MW827.04 g/mol
LogP16.71
Rot. Bonds5

About 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene

25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene (PubChem CID 145085303) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene.

Molecular Properties

Compound Name25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene
PubChem CID145085303
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC Name25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene
SMILESC1=Cc2c(n(-c3ccc(-c4ccc(C5=CCCC=C5)cc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5cccc7c5n6-c5cc6c(cc5-c5ccccc5-7)CCC=C6)cc4)cc23)C=1
InChIInChI=1S/C63H42N2/c1-2-10-40(11-3-1)41-20-22-42(23-21-41)43-28-32-50(33-29-43)64-59-19-9-16-53(59)57-37-48(30-34-60(57)64)44-24-26-45(27-25-44)49-31-35-61-58(38-49)55-18-8-17-54-51-14-6-7-15-52(51)56-36-46-12-4-5-13-47(46)39-62(56)65(61)63(54)55/h2,5-8,10-11,13-39H,1,3-4,12H2
InChIKeyCWSCTVXQWIVXNB-UHFFFAOYSA-N
XLogP16.71
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

18-[9-[4-(5,6-dihydronaphthalen-2-yl)phenyl]carbazol-3-yl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 145085621
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
12-(4-cyclohexa-1,5-dien-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 146390187
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-19-(4-phenylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166703086
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 177063272
9-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-14-[4-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 177063273
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
3-[9-[4-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]pyrimidin-2-yl]-1,2-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 134438397
2-(6-cyclohexa-1,5-dien-1-yl-1,3-diphenylcarbazol-9-yl)-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 145110266
N-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]aniline
CID 167211663
2-cyclohexa-1,5-dien-1-yl-4-(9-phenylcarbazol-3-yl)aniline
CID 90069586
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703

Frequently Asked Questions

What is the IUPAC name of 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene?
The IUPAC name of 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene (CID 145085303) is 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene.
What is the SMILES notation for 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene?
The canonical SMILES for 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene is C1=Cc2c(n(-c3ccc(-c4ccc(C5=CCCC=C5)cc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5cccc7c5n6-c5cc6c(cc5-c5ccccc5-7)CCC=C6)cc4)cc23)C=1.
What is the InChIKey of 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene?
The InChIKey is CWSCTVXQWIVXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-2-10-40(11-3-1)41-20-22-42(23-21-41)43-28-32-50(33-29-43)64-59-19-9-16-53(59)57-37-48(30-34-60(57)64)44-24-26-45(27-25-44)49-31-35-61-58(38-49)55-18-8-17-54-51-14-6-7-15-52(51)56-36-46-12-4-5-13-47(46)39-62(56)65(61)63(54)55/h2,5-8,10-11,13-39H,1,3-4,12H2.
What are the key properties of 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene?
25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene has a molecular weight of 827.04 g/mol, XLogP of 16.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 25-[4-[4-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclopenta[b]indol-7-yl]phenyl]-1-azaheptacyclo[16.10.1.02,11.04,9.012,17.022,29.023,28]nonacosa-2(11),3,5,9,12,14,16,18,20,22(29),23(28),24,26-tridecaene is sourced from PubChem (CID 145085303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).