23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene]

C57H32N2 — CID 156523772

IUPAC23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene]
SMILESc1ccc(-n2c3ccccc3c3c(-c4cc5c6c(c4)-c4cccc7ccc8c(c47)N6c4c(ccc6cccc-5c46)C84c5ccccc5-c5ccccc54)cccc32)cc1
InChIInChI=1S/C57H32N2/c1-2-15-36(16-3-1)58-49-25-9-6-19-42(49)53-37(20-12-26-50(53)58)35-31-43-40-21-10-13-33-27-29-47-55(51(33)40)59-54(43)44(32-35)41-22-11-14-34-28-30-48(56(59)52(34)41)57(47)45-23-7-4-17-38(45)39-18-5-8-24-46(39)57/h1-32H
InChIKeyBRBBWCPYTCZDFL-UHFFFAOYSA-N
MW744.90 g/mol
LogP14.86
Rot. Bonds2

About 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene]

23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene] (PubChem CID 156523772) has the molecular formula C57H32N2 and a molecular weight of 744.90 g/mol. Its IUPAC name is 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene].

Molecular Properties

Compound Name23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene]
PubChem CID156523772
Molecular FormulaC57H32N2
Molecular Weight744.90 g/mol
Exact Mass744.26
IUPAC Name23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene]
SMILESc1ccc(-n2c3ccccc3c3c(-c4cc5c6c(c4)-c4cccc7ccc8c(c47)N6c4c(ccc6cccc-5c46)C84c5ccccc5-c5ccccc54)cccc32)cc1
InChIInChI=1S/C57H32N2/c1-2-15-36(16-3-1)58-49-25-9-6-19-42(49)53-37(20-12-26-50(53)58)35-31-43-40-21-10-13-33-27-29-47-55(51(33)40)59-54(43)44(32-35)41-22-11-14-34-28-30-48(56(59)52(34)41)57(47)45-23-7-4-17-38(45)39-18-5-8-24-46(39)57/h1-32H
InChIKeyBRBBWCPYTCZDFL-UHFFFAOYSA-N
XLogP14.86
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.90
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene] with MolForge

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Related Compounds

9-phenyl-4-[3-phenyl-5-(4-pyren-2-ylphenyl)phenyl]carbazole
CID 90126083
10'-phenylspiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21,23,25-tridecaene-12,9'-acridine]
CID 156523710
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155278950
3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 176878089
CID 134551696
CID 134551696
4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
CID 121287474
6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 167126460
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole
CID 118698161
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434564

Frequently Asked Questions

What is the IUPAC name of 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene]?
The IUPAC name of 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene] (CID 156523772) is 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene].
What is the SMILES notation for 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene]?
The canonical SMILES for 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene] is c1ccc(-n2c3ccccc3c3c(-c4cc5c6c(c4)-c4cccc7ccc8c(c47)N6c4c(ccc6cccc-5c46)C84c5ccccc5-c5ccccc54)cccc32)cc1.
What is the InChIKey of 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene]?
The InChIKey is BRBBWCPYTCZDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H32N2/c1-2-15-36(16-3-1)58-49-25-9-6-19-42(49)53-37(20-12-26-50(53)58)35-31-43-40-21-10-13-33-27-29-47-55(51(33)40)59-54(43)44(32-35)41-22-11-14-34-28-30-48(56(59)52(34)41)57(47)45-23-7-4-17-38(45)39-18-5-8-24-46(39)57/h1-32H.
What are the key properties of 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene]?
23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene] has a molecular weight of 744.90 g/mol, XLogP of 14.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(9-phenylcarbazol-4-yl)spiro[1-azaoctacyclo[14.10.2.02,11.03,8.04,25.013,27.020,28.021,26]octacosa-2(11),3(8),4,6,9,13(27),14,16(28),17,19,21(26),22,24-tridecaene-12,9'-fluorene] is sourced from PubChem (CID 156523772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).