3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole

C48H27N — CID 58068217

IUPAC3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc7c(cc6c6cccc4c65)cc4c5ccccc5c5cccc7c54)ccc32)cc1
InChIInChI=1S/C48H27N/c1-2-10-30(11-3-1)49-45-19-7-6-14-34(45)43-24-28(20-23-46(43)49)31-21-22-39-42-27-40-29(25-41(42)38-18-8-15-35(31)47(38)39)26-44-33-13-5-4-12-32(33)36-16-9-17-37(40)48(36)44/h1-27H
InChIKeyBTDHRGPINPHRCO-UHFFFAOYSA-N
MW617.75 g/mol
LogP13.40
Rot. Bonds2

About 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole

3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole (PubChem CID 58068217) has the molecular formula C48H27N and a molecular weight of 617.75 g/mol. Its IUPAC name is 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole
PubChem CID58068217
Molecular FormulaC48H27N
Molecular Weight617.75 g/mol
Exact Mass617.21
IUPAC Name3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc7c(cc6c6cccc4c65)cc4c5ccccc5c5cccc7c54)ccc32)cc1
InChIInChI=1S/C48H27N/c1-2-10-30(11-3-1)49-45-19-7-6-14-34(45)43-24-28(20-23-46(43)49)31-21-22-39-42-27-40-29(25-41(42)38-18-8-15-35(31)47(38)39)26-44-33-13-5-4-12-32(33)36-16-9-17-37(40)48(36)44/h1-27H
InChIKeyBTDHRGPINPHRCO-UHFFFAOYSA-N
XLogP13.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.75
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole with MolForge

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Related Compounds

10-phenyl-20-(9-phenylcarbazol-2-yl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310187
2-(9-hexacyclo[16.8.0.02,11.03,8.012,17.020,25]hexacosa-1(26),2(11),3,5,7,9,12,14,16,18,20,22,24-tridecaenyl)-9-phenylcarbazole
CID 121287357
12-phenyl-7-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 121246518
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
2-(9-phenylcarbazol-3-yl)-6-[21-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-9-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]-9-(4-triphenylen-2-ylphenyl)carbazole
CID 163802798
9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
CID 122434651
CID 88964232
CID 88964232
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
9-phenyl-2-[6-(9-phenylcarbazol-2-yl)pyren-1-yl]carbazole
CID 139341260
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951

Frequently Asked Questions

What is the IUPAC name of 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole?
The IUPAC name of 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole (CID 58068217) is 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole?
The canonical SMILES for 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6cc7c(cc6c6cccc4c65)cc4c5ccccc5c5cccc7c54)ccc32)cc1.
What is the InChIKey of 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole?
The InChIKey is BTDHRGPINPHRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27N/c1-2-10-30(11-3-1)49-45-19-7-6-14-34(45)43-24-28(20-23-46(43)49)31-21-22-39-42-27-40-29(25-41(42)38-18-8-15-35(31)47(38)39)26-44-33-13-5-4-12-32(33)36-16-9-17-37(40)48(36)44/h1-27H.
What are the key properties of 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole?
3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole has a molecular weight of 617.75 g/mol, XLogP of 13.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-octacyclo[16.10.1.15,9.02,16.04,14.019,24.025,29.013,30]triaconta-1(28),2,4(14),5(30),6,8,10,12,15,17,19,21,23,25(29),26-pentadecaenyl)-9-phenylcarbazole is sourced from PubChem (CID 58068217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).