15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

C54H34N2S — CID 121329648

IUPAC15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4sc5cc(-n6c7ccccc7c7ccccc76)c6ccccc6c5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2S/c1-2-14-35(15-3-1)37-26-29-39(30-27-37)55(40-31-28-36-16-4-5-17-38(36)32-40)49-33-51-53(45-22-8-6-20-43(45)49)54-46-23-9-7-21-44(46)50(34-52(54)57-51)56-47-24-12-10-18-41(47)42-19-11-13-25-48(42)56/h1-34H
InChIKeyMWAIGPGTWVZERC-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.75
Rot. Bonds5

About 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine

15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (PubChem CID 121329648) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.

Molecular Properties

Compound Name15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
PubChem CID121329648
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4sc5cc(-n6c7ccccc7c7ccccc76)c6ccccc6c5c4c4ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2S/c1-2-14-35(15-3-1)37-26-29-39(30-27-37)55(40-31-28-36-16-4-5-17-38(36)32-40)49-33-51-53(45-22-8-6-20-43(45)49)54-46-23-9-7-21-44(46)50(34-52(54)57-51)56-47-24-12-10-18-41(47)42-19-11-13-25-48(42)56/h1-34H
InChIKeyMWAIGPGTWVZERC-UHFFFAOYSA-N
XLogP15.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine with MolForge

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Related Compounds

15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine;ethane
CID 145442224
N-naphthalen-2-yl-N-phenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90263616
N-(2-carbazol-9-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 166565844
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165006232
5-N,9-N-dinaphthalen-2-yl-5-N,9-N-diphenylnaphtho[2,1-b][1]benzothiole-5,9-diamine
CID 122416705
2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine
CID 164883360
2-carbazol-9-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566092
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-yldibenzothiophen-1-amine
CID 155396619
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine
CID 167322826
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;9-phenylcarbazole
CID 158239659
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-[4-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 160941057

Frequently Asked Questions

What is the IUPAC name of 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The IUPAC name of 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine (CID 121329648) is 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine.
What is the SMILES notation for 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The canonical SMILES for 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc4sc5cc(-n6c7ccccc7c7ccccc76)c6ccccc6c5c4c4ccccc34)cc2)cc1.
What is the InChIKey of 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
The InChIKey is MWAIGPGTWVZERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-2-14-35(15-3-1)37-26-29-39(30-27-37)55(40-31-28-36-16-4-5-17-38(36)32-40)49-33-51-53(45-22-8-6-20-43(45)49)54-46-23-9-7-21-44(46)50(34-52(54)57-51)56-47-24-12-10-18-41(47)42-19-11-13-25-48(42)56/h1-34H.
What are the key properties of 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine?
15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine has a molecular weight of 742.95 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-carbazol-9-yl-N-naphthalen-2-yl-N-(4-phenylphenyl)-12-thiapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine is sourced from PubChem (CID 121329648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).