9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C68H41N3 — CID 155333620

IUPAC9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc5c(-c6ccc7c8ccccc8n8c9ccccc9c6c78)c6cccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)c6cc45)cccc32)cc1
InChIInChI=1S/C68H41N3/c1-3-19-42(20-4-1)69-59-34-12-8-24-52(59)65-47(31-17-37-62(65)69)44-27-15-29-49-56(44)41-57-45(48-32-18-38-63-66(48)53-25-9-13-35-60(53)70(63)43-21-5-2-6-22-43)28-16-30-50(57)64(49)55-40-39-51-46-23-7-11-33-58(46)71-61-36-14-10-26-54(61)67(55)68(51)71/h1-41H
InChIKeyIQIMRXLVHSTGHD-UHFFFAOYSA-N
MW900.10 g/mol
LogP18.34
Rot. Bonds5

About 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 155333620) has the molecular formula C68H41N3 and a molecular weight of 900.10 g/mol. Its IUPAC name is 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID155333620
Molecular FormulaC68H41N3
Molecular Weight900.10 g/mol
Exact Mass899.33
IUPAC Name9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc5c(-c6ccc7c8ccccc8n8c9ccccc9c6c78)c6cccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)c6cc45)cccc32)cc1
InChIInChI=1S/C68H41N3/c1-3-19-42(20-4-1)69-59-34-12-8-24-52(59)65-47(31-17-37-62(65)69)44-27-15-29-49-56(44)41-57-45(48-32-18-38-63-66(48)53-25-9-13-35-60(53)70(63)43-21-5-2-6-22-43)28-16-30-50(57)64(49)55-40-39-51-46-23-7-11-33-58(46)71-61-36-14-10-26-54(61)67(55)68(51)71/h1-41H
InChIKeyIQIMRXLVHSTGHD-UHFFFAOYSA-N
XLogP18.34
TPSA14.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.10
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

6-[4-[8-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-yl)naphthalen-1-yl]-10-phenylanthracen-1-yl]naphthalen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 155334926
4-[10-(2,4-diphenylphenyl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155334200
1-[4,5-bis(9-phenylcarbazol-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155335011
9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
CID 171428659
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(3-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333252
4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole
CID 122434619
9-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118422818
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(5-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155333113
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole
CID 155333886
14-phenyl-5,14,27,41-tetrazapentadecacyclo[25.22.1.15,19.130,34.02,26.04,24.06,18.07,15.08,13.028,45.029,42.035,40.046,50.023,52.041,51]dopentaconta-1(49),2,4(24),6(18),7(15),8,10,12,16,19(52),20,22,25,28(45),29(42),30,32,34(51),35,37,39,43,46(50),47-tetracosaene
CID 155308708
21-naphthalen-1-yl-27-phenyl-27-azaheptacyclo[12.11.1.16,9.02,7.08,13.015,20.022,26]heptacosa-1(25),2(7),3,5,8(13),9,11,14(26),15,17,19,21,23-tridecaene
CID 170226043
4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155334819

Frequently Asked Questions

What is the IUPAC name of 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 155333620) is 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc(-n2c3ccccc3c3c(-c4cccc5c(-c6ccc7c8ccccc8n8c9ccccc9c6c78)c6cccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)c6cc45)cccc32)cc1.
What is the InChIKey of 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is IQIMRXLVHSTGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N3/c1-3-19-42(20-4-1)69-59-34-12-8-24-52(59)65-47(31-17-37-62(65)69)44-27-15-29-49-56(44)41-57-45(48-32-18-38-63-66(48)53-25-9-13-35-60(53)70(63)43-21-5-2-6-22-43)28-16-30-50(57)64(49)55-40-39-51-46-23-7-11-33-58(46)71-61-36-14-10-26-54(61)67(55)68(51)71/h1-41H.
What are the key properties of 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 900.10 g/mol, XLogP of 18.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,5-bis(9-phenylcarbazol-4-yl)anthracen-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 155333620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).