7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole

C75H43N3O2 — CID 89177982

IUPAC7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1cncc(-c2cc3ccccc3c3cc4c(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)c5ccccc5c(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)c4cc23)c1
InChIInChI=1S/C75H43N3O2/c1-2-16-50-46(14-1)36-57(47-15-13-35-76-43-47)59-38-65-64(37-58(50)59)74(44-27-31-48(32-28-44)77-66-23-9-5-17-51(66)60-39-62-53-19-7-11-25-70(53)79-72(62)41-68(60)77)55-21-3-4-22-56(55)75(65)45-29-33-49(34-30-45)78-67-24-10-6-18-52(67)61-40-63-54-20-8-12-26-71(54)80-73(63)42-69(61)78/h1-43H
InChIKeyHJCBGAMILTYMPJ-UHFFFAOYSA-N
MW1018.19 g/mol
LogP20.69
Rot. Bonds5

About 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole

7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 89177982) has the molecular formula C75H43N3O2 and a molecular weight of 1018.19 g/mol. Its IUPAC name is 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID89177982
Molecular FormulaC75H43N3O2
Molecular Weight1018.19 g/mol
Exact Mass1017.34
IUPAC Name7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1cncc(-c2cc3ccccc3c3cc4c(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)c5ccccc5c(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)c4cc23)c1
InChIInChI=1S/C75H43N3O2/c1-2-16-50-46(14-1)36-57(47-15-13-35-76-43-47)59-38-65-64(37-58(50)59)74(44-27-31-48(32-28-44)77-66-23-9-5-17-51(66)60-39-62-53-19-7-11-25-70(53)79-72(62)41-68(60)77)55-21-3-4-22-56(55)75(65)45-29-33-49(34-30-45)78-67-24-10-6-18-52(67)61-40-63-54-20-8-12-26-71(54)80-73(63)42-69(61)78/h1-43H
InChIKeyHJCBGAMILTYMPJ-UHFFFAOYSA-N
XLogP20.69
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.19
LogP ≤ 520.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3y
CID 5330743
Indolocarbazole deriv. 12g
CID 5330770
Indolocarbazole deriv. 11f
CID 5330765
(9-Ethyl-7-methoxycarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 145986734
3-(9-Fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(6-fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129291269
1H-Benzofuro[3,2-f]indole
CID 610059
(6-Methoxy-1-pentylindol-3-yl)-naphthalen-1-ylmethanone
CID 53394753
Benzofuro[3,2-g]quinoline
CID 259304
9-Fluoro-3-methyl-14-oxa-3-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),4,7(12),8,10,15,17,19-nonaen-21-one
CID 164684232
18-Fluoro-3,9-dimethyl-14-oxa-3-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),4,7(12),8,10,15(20),16,18-nonaen-21-one
CID 164686307
9-Fluoro-3,18-dimethyl-14-oxa-3-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),4,7(12),8,10,15(20),16,18-nonaen-21-one
CID 164686308
18-Fluoro-3-methyl-14-oxa-3-azapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(13),2(6),4,7,9,11,15(20),16,18-nonaen-21-one
CID 164686832

Frequently Asked Questions

What is the IUPAC name of 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole (CID 89177982) is 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole is c1cncc(-c2cc3ccccc3c3cc4c(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)c5ccccc5c(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)c4cc23)c1.
What is the InChIKey of 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is HJCBGAMILTYMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H43N3O2/c1-2-16-50-46(14-1)36-57(47-15-13-35-76-43-47)59-38-65-64(37-58(50)59)74(44-27-31-48(32-28-44)77-66-23-9-5-17-51(66)60-39-62-53-19-7-11-25-70(53)79-72(62)41-68(60)77)55-21-3-4-22-56(55)75(65)45-29-33-49(34-30-45)78-67-24-10-6-18-52(67)61-40-63-54-20-8-12-26-71(54)80-73(63)42-69(61)78/h1-43H.
What are the key properties of 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 1018.19 g/mol, XLogP of 20.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[8-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6-pyridin-3-ylbenzo[a]tetracen-13-yl]phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 89177982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).