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

C56H42N2S — CID 145442224

IUPAC15-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
SMILESC1=C(c2ccccc2)CCC(N(c2ccc3ccccc3c2)c2cc3sc4cc(-n5c6ccccc6c6ccccc65)c5ccccc5c4c3c3ccccc23)=C1.CC
InChIInChI=1S/C54H36N2S.C2H6/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;1-2/h1-26,28-29,31-34H,27,30H2;1-2H3
InChIKeyXBTZRLUGNLOWQX-UHFFFAOYSA-N
MW775.03 g/mol
LogP16.54
Rot. Bonds5

About 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

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 (PubChem CID 145442224) has the molecular formula C56H42N2S and a molecular weight of 775.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-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
PubChem CID145442224
Molecular FormulaC56H42N2S
Molecular Weight775.03 g/mol
Exact Mass774.31
IUPAC Name15-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
SMILESC1=C(c2ccccc2)CCC(N(c2ccc3ccccc3c2)c2cc3sc4cc(-n5c6ccccc6c6ccccc65)c5ccccc5c4c3c3ccccc23)=C1.CC
InChIInChI=1S/C54H36N2S.C2H6/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;1-2/h1-26,28-29,31-34H,27,30H2;1-2H3
InChIKeyXBTZRLUGNLOWQX-UHFFFAOYSA-N
XLogP16.54
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.03
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 126598546
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 145377441
2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine
CID 164883360
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
ethane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 145000918
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
5-N,9-N-dinaphthalen-2-yl-5-N,9-N-diphenylnaphtho[2,1-b][1]benzothiole-5,9-diamine
CID 122416705
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
1-N,3-N-di(dibenzothiophen-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 88873441
1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175591
N-[4-(2-benzo[b]carbazol-5-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380597

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=C(c2ccccc2)CCC(N(c2ccc3ccccc3c2)c2cc3sc4cc(-n5c6ccccc6c6ccccc65)c5ccccc5c4c3c3ccccc23)=C1.CC.
What is the InChIKey of 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?
The InChIKey is XBTZRLUGNLOWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S.C2H6/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;1-2/h1-26,28-29,31-34H,27,30H2;1-2H3.
What are the key properties of 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?
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 has a molecular weight of 775.03 g/mol, XLogP of 16.54, 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-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 is sourced from PubChem (CID 145442224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).