2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole

C54H41N — CID 174038632

IUPAC2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole
SMILESC[C@@H]1c2ccccc2-c2c(ccc3c2C(CCc2cccc(-c4ccccc4)c2)c2ccccc2-3)C1c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C54H41N/c1-35-41-21-8-11-25-46(41)54-49(52(35)39-28-30-45-44-24-12-13-26-50(44)55(51(45)34-39)40-19-6-3-7-20-40)32-31-48-43-23-10-9-22-42(43)47(53(48)54)29-27-36-15-14-18-38(33-36)37-16-4-2-5-17-37/h2-26,28,30-35,47,52H,27,29H2,1H3/t35-,47?,52?/m1/s1
InChIKeyABRWESIDHSKKRP-AEMPZFQUSA-N
MW703.93 g/mol
LogP14.11
Rot. Bonds6

About 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole

2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole (PubChem CID 174038632) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole
PubChem CID174038632
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC Name2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole
SMILESC[C@@H]1c2ccccc2-c2c(ccc3c2C(CCc2cccc(-c4ccccc4)c2)c2ccccc2-3)C1c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C54H41N/c1-35-41-21-8-11-25-46(41)54-49(52(35)39-28-30-45-44-24-12-13-26-50(44)55(51(45)34-39)40-19-6-3-7-20-40)32-31-48-43-23-10-9-22-42(43)47(53(48)54)29-27-36-15-14-18-38(33-36)37-16-4-2-5-17-37/h2-26,28,30-35,47,52H,27,29H2,1H3/t35-,47?,52?/m1/s1
InChIKeyABRWESIDHSKKRP-AEMPZFQUSA-N
XLogP14.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole with MolForge

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Related Compounds

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CID 142356553
2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
CID 58250678
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
N-[3-[4-[3-[3-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-[4-[4-[2-(9H-fluoren-9-yl)ethyl]phenyl]phenyl]-3-phenylaniline
CID 155323196
9-(9,9-dimethylfluoren-2-yl)-3-[10-methyl-9-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 146395767
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
3,5-diphenyl-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 168727773
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
7-phenyl-5-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-b]carbazole
CID 134168539
5-[3-(9-benzyl-9H-fluoren-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
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Frequently Asked Questions

What is the IUPAC name of 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole?
The IUPAC name of 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole (CID 174038632) is 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole is C[C@@H]1c2ccccc2-c2c(ccc3c2C(CCc2cccc(-c4ccccc4)c2)c2ccccc2-3)C1c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole?
The InChIKey is ABRWESIDHSKKRP-AEMPZFQUSA-N. The full InChI is InChI=1S/C54H41N/c1-35-41-21-8-11-25-46(41)54-49(52(35)39-28-30-45-44-24-12-13-26-50(44)55(51(45)34-39)40-19-6-3-7-20-40)32-31-48-43-23-10-9-22-42(43)47(53(48)54)29-27-36-15-14-18-38(33-36)37-16-4-2-5-17-37/h2-26,28,30-35,47,52H,27,29H2,1H3/t35-,47?,52?/m1/s1.
What are the key properties of 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole?
2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole has a molecular weight of 703.93 g/mol, XLogP of 14.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(15S)-15-methyl-3-[2-(3-phenylphenyl)ethyl]-14-pentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaenyl]-9-phenylcarbazole is sourced from PubChem (CID 174038632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).