10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene

C64H40N2 — CID 145085485

IUPAC10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2-c2cccc4c5cc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cc8ccccc8cc7-c7ccccc7)cc6)ccc5n-3c24)cc1
InChIInChI=1S/C64H40N2/c1-3-14-41(15-4-1)47-31-34-61-56(37-47)51-21-10-9-20-50(51)53-23-13-24-54-58-39-49(32-35-62(58)66(61)64(53)54)43-28-26-42(27-29-43)48-30-33-60-57(38-48)52-22-11-12-25-59(52)65(60)63-40-46-19-8-7-18-45(46)36-55(63)44-16-5-2-6-17-44/h1-40H
InChIKeyULHNCBGIAUBAAI-UHFFFAOYSA-N
MW837.04 g/mol
LogP17.35
Rot. Bonds5

About 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene

10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene (PubChem CID 145085485) has the molecular formula C64H40N2 and a molecular weight of 837.04 g/mol. Its IUPAC name is 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene.

Molecular Properties

Compound Name10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
PubChem CID145085485
Molecular FormulaC64H40N2
Molecular Weight837.04 g/mol
Exact Mass836.32
IUPAC Name10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
SMILESc1ccc(-c2ccc3c(c2)-c2ccccc2-c2cccc4c5cc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cc8ccccc8cc7-c7ccccc7)cc6)ccc5n-3c24)cc1
InChIInChI=1S/C64H40N2/c1-3-14-41(15-4-1)47-31-34-61-56(37-47)51-21-10-9-20-50(51)53-23-13-24-54-58-39-49(32-35-62(58)66(61)64(53)54)43-28-26-42(27-29-43)48-30-33-60-57(38-48)52-22-11-12-25-59(52)65(60)63-40-46-19-8-7-18-45(46)36-55(63)44-16-5-2-6-17-44/h1-40H
InChIKeyULHNCBGIAUBAAI-UHFFFAOYSA-N
XLogP17.35
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.04
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene with MolForge

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Related Compounds

22-[9-(3-phenylphenyl)carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19(24),20,22,25(29),26-tetradecaene
CID 145085430
1-[2-[2-(3-naphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]-9-phenylcarbazole
CID 166037123
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
5-[2-(4-phenylphenyl)-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155450759
23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 121446881
10-phenyl-23-[4-[9-[3-(4-phenylphenyl)phenyl]phenanthren-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 145085570
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
3-(9-phenanthren-9-ylcarbazol-3-yl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 146848842
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole
CID 138599572
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole
CID 139319655

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene?
The IUPAC name of 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene (CID 145085485) is 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene.
What is the SMILES notation for 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene?
The canonical SMILES for 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene is c1ccc(-c2ccc3c(c2)-c2ccccc2-c2cccc4c5cc(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cc8ccccc8cc7-c7ccccc7)cc6)ccc5n-3c24)cc1.
What is the InChIKey of 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene?
The InChIKey is ULHNCBGIAUBAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2/c1-3-14-41(15-4-1)47-31-34-61-56(37-47)51-21-10-9-20-50(51)53-23-13-24-54-58-39-49(32-35-62(58)66(61)64(53)54)43-28-26-42(27-29-43)48-30-33-60-57(38-48)52-22-11-12-25-59(52)65(60)63-40-46-19-8-7-18-45(46)36-55(63)44-16-5-2-6-17-44/h1-40H.
What are the key properties of 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene?
10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene has a molecular weight of 837.04 g/mol, XLogP of 17.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-18-[4-[9-(3-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene is sourced from PubChem (CID 145085485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).