18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene

C44H27N3S — CID 90267618

IUPAC18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene
SMILESc1ccc(-n2ccc3c2ccc2c4ccc5sc6ccccc6c5c4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c23)cc1
InChIInChI=1S/C44H27N3S/c1-3-11-28(12-4-1)45-26-25-34-37(45)23-20-32-33-21-24-41-42(35-16-8-10-18-40(35)48-41)44(33)47(43(32)34)30-19-22-39-36(27-30)31-15-7-9-17-38(31)46(39)29-13-5-2-6-14-29/h1-27H
InChIKeyBKHINKBYSYTUFG-UHFFFAOYSA-N
MW629.79 g/mol
LogP12.19
Rot. Bonds3

About 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene

18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene (PubChem CID 90267618) has the molecular formula C44H27N3S and a molecular weight of 629.79 g/mol. Its IUPAC name is 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene.

Molecular Properties

Compound Name18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene
PubChem CID90267618
Molecular FormulaC44H27N3S
Molecular Weight629.79 g/mol
Exact Mass629.19
IUPAC Name18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene
SMILESc1ccc(-n2ccc3c2ccc2c4ccc5sc6ccccc6c5c4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c23)cc1
InChIInChI=1S/C44H27N3S/c1-3-11-28(12-4-1)45-26-25-34-37(45)23-20-32-33-21-24-41-42(35-16-8-10-18-40(35)48-41)44(33)47(43(32)34)30-19-22-39-36(27-30)31-15-7-9-17-38(31)46(39)29-13-5-2-6-14-29/h1-27H
InChIKeyBKHINKBYSYTUFG-UHFFFAOYSA-N
XLogP12.19
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.79
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene 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

5-phenyl-12-[8-(5-phenylindolo[3,2-c]carbazol-12-yl)dibenzothiophen-2-yl]indolo[3,2-c]carbazole
CID 170394006
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
12-phenyl-15-(4-phenylphenyl)-24-thia-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 144705068
12-[4-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192765
9-(9-phenylcarbazol-3-yl)-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118503172
9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 166009350
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100
10-[9-(2,6-diphenylphenyl)carbazol-3-yl]-3-phenylpyrrolo[3,2-a]carbazole
CID 144815944
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192716
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193191
12-dibenzothiophen-2-yl-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598840
3,8-di(carbazol-9-yl)-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 67952823

Frequently Asked Questions

What is the IUPAC name of 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene?
The IUPAC name of 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene (CID 90267618) is 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene.
What is the SMILES notation for 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene?
The canonical SMILES for 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene is c1ccc(-n2ccc3c2ccc2c4ccc5sc6ccccc6c5c4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c23)cc1.
What is the InChIKey of 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene?
The InChIKey is BKHINKBYSYTUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3S/c1-3-11-28(12-4-1)45-26-25-34-37(45)23-20-32-33-21-24-41-42(35-16-8-10-18-40(35)48-41)44(33)47(43(32)34)30-19-22-39-36(27-30)31-15-7-9-17-38(31)46(39)29-13-5-2-6-14-29/h1-27H.
What are the key properties of 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene?
18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene has a molecular weight of 629.79 g/mol, XLogP of 12.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-phenyl-23-(9-phenylcarbazol-3-yl)-9-thia-18,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.017,21]tricosa-1(13),2(10),3,5,7,11,14(22),15,17(21),19-decaene is sourced from PubChem (CID 90267618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).