4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile

C45H27N — CID 166868417

IUPAC4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2cc3c4c(cccc4c2)-c2c(-c4ccccc4)c(-c4ccccc4)cc(-c4ccccc4)c2-3)c2ccccc12
InChIInChI=1S/C45H27N/c46-28-33-23-24-36(37-21-11-10-20-35(33)37)34-25-32-19-12-22-38-42(32)41(26-34)44-40(30-15-6-2-7-16-30)27-39(29-13-4-1-5-14-29)43(45(38)44)31-17-8-3-9-18-31/h1-27H
InChIKeyYEHIWDSDBBKRCI-UHFFFAOYSA-N
MW581.72 g/mol
LogP12.18
Rot. Bonds4

About 4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile

4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile (PubChem CID 166868417) has the molecular formula C45H27N and a molecular weight of 581.72 g/mol. Its IUPAC name is 4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile
PubChem CID166868417
Molecular FormulaC45H27N
Molecular Weight581.72 g/mol
Exact Mass581.21
IUPAC Name4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2cc3c4c(cccc4c2)-c2c(-c4ccccc4)c(-c4ccccc4)cc(-c4ccccc4)c2-3)c2ccccc12
InChIInChI=1S/C45H27N/c46-28-33-23-24-36(37-21-11-10-20-35(33)37)34-25-32-19-12-22-38-42(32)41(26-34)44-40(30-15-6-2-7-16-30)27-39(29-13-4-1-5-14-29)43(45(38)44)31-17-8-3-9-18-31/h1-27H
InChIKeyYEHIWDSDBBKRCI-UHFFFAOYSA-N
XLogP12.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.72
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(7,9,10-triphenylfluoranthen-2-yl)phenyl]benzonitrile
CID 166868435
4-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]naphthalene-1-carbonitrile
CID 70847157
4-[10-(4-cyanonaphthalen-1-yl)fluoranthen-7-yl]naphthalene-1-carbonitrile
CID 70854915
7-(4-cyanophenyl)-8-fluoranthen-3-yl-10-phenylfluoranthene-3-carbonitrile
CID 166868408
4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
2-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-4,6-diphenylpyrimidine
CID 118314536
2-(9,10-diphenylanthracen-2-yl)-4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)benzonitrile
CID 146337711
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[(E)-2-(7,8,9,10-tetraphenylfluoranthen-3-yl)ethenyl]fluoranthene;7,8,9,10-tetraphenyl-3-[3-(7,8,9,10-tetraphenylfluoranthen-2-yl)-5-(7,8,9,10-tetraphenylfluoranthen-3-yl)phenyl]fluoranthene
CID 158235266
4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-1-carbonitrile
CID 165376112
5-(7,10-diphenylfluoranthen-8-yl)naphthalen-1-amine
CID 166868480
3,10-diphenyloctacyclo[13.12.2.116,20.02,11.04,9.012,28.025,29.024,30]triaconta-1(28),2,4,6,8,10,12,14,16(30),17,19,21,23,25(29),26-pentadecaene-19-carbonitrile
CID 20749544

Frequently Asked Questions

What is the IUPAC name of 4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile (CID 166868417) is 4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile is N#Cc1ccc(-c2cc3c4c(cccc4c2)-c2c(-c4ccccc4)c(-c4ccccc4)cc(-c4ccccc4)c2-3)c2ccccc12.
What is the InChIKey of 4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile?
The InChIKey is YEHIWDSDBBKRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N/c46-28-33-23-24-36(37-21-11-10-20-35(33)37)34-25-32-19-12-22-38-42(32)41(26-34)44-40(30-15-6-2-7-16-30)27-39(29-13-4-1-5-14-29)43(45(38)44)31-17-8-3-9-18-31/h1-27H.
What are the key properties of 4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile?
4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile has a molecular weight of 581.72 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8,10-triphenylfluoranthen-2-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 166868417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).