11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

C41H27N3 — CID 122466573

IUPAC11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
SMILESc1cc2c3c(cccc3c1)-c1c-2cc(Cn2c3ccccc3c3ccccc32)nc1Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C41H27N3/c1-5-19-36-28(13-1)29-14-2-6-20-37(29)43(36)24-27-23-34-32-17-9-11-26-12-10-18-33(40(26)32)41(34)35(42-27)25-44-38-21-7-3-15-30(38)31-16-4-8-22-39(31)44/h1-23H,24-25H2
InChIKeyYOECPIJDETWESH-UHFFFAOYSA-N
MW561.69 g/mol
LogP10.19
Rot. Bonds4

About 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene

11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (PubChem CID 122466573) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.

Molecular Properties

Compound Name11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
PubChem CID122466573
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
SMILESc1cc2c3c(cccc3c1)-c1c-2cc(Cn2c3ccccc3c3ccccc32)nc1Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C41H27N3/c1-5-19-36-28(13-1)29-14-2-6-20-37(29)43(36)24-27-23-34-32-17-9-11-26-12-10-18-33(40(26)32)41(34)35(42-27)25-44-38-21-7-3-15-30(38)31-16-4-8-22-39(31)44/h1-23H,24-25H2
InChIKeyYOECPIJDETWESH-UHFFFAOYSA-N
XLogP10.19
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene with MolForge

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Related Compounds

9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
11-benzo[k]fluoranthen-7-ylindolo[3,2-c]quinoline
CID 163478537
9-naphthalen-1-yl-1-(9-naphthalen-1-ylcarbazol-1-yl)carbazole
CID 134507274
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
9-butyl-14-chloro-9-azahexacyclo[15.7.1.02,10.03,8.011,16.021,25]pentacosa-1(24),2(10),3,5,7,11(16),12,14,17,19,21(25),22-dodecaene
CID 166440630
27-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.110,13.02,11.03,8.012,17.022,26]heptacosa-1(25),2(11),3,5,7,9,12(17),13,15,18,20,22(26),23-tridecaene
CID 155429721
fluoranthene
CID 139203734
23-[4-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 155429764
ethane;fluoranthene;triphenylene
CID 160720447
4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155333735
4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564873
9-ethyl-4-[8-(9-ethylcarbazol-4-yl)-10-pyren-4-ylanthracen-1-yl]carbazole
CID 155334836

Frequently Asked Questions

What is the IUPAC name of 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The IUPAC name of 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene (CID 122466573) is 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene.
What is the SMILES notation for 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The canonical SMILES for 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is c1cc2c3c(cccc3c1)-c1c-2cc(Cn2c3ccccc3c3ccccc32)nc1Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
The InChIKey is YOECPIJDETWESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-5-19-36-28(13-1)29-14-2-6-20-37(29)43(36)24-27-23-34-32-17-9-11-26-12-10-18-33(40(26)32)41(34)35(42-27)25-44-38-21-7-3-15-30(38)31-16-4-8-22-39(31)44/h1-23H,24-25H2.
What are the key properties of 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene?
11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene has a molecular weight of 561.69 g/mol, XLogP of 10.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-bis(carbazol-9-ylmethyl)-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene is sourced from PubChem (CID 122466573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).