CID 172510780

C50H41N2O2 — CID 172510780

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1[C](c2cc3c4c(c2)Oc2ccccc2N4c2ccccc2O3)c2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H41N2O2/c1-32(2)37-23-17-24-38(33(3)4)48(37)52-47(39-22-11-12-25-40(39)50(52,35-18-7-5-8-19-35)36-20-9-6-10-21-36)34-30-45-49-46(31-34)54-44-29-16-14-27-42(44)51(49)41-26-13-15-28-43(41)53-45/h5-33H,1-4H3
InChIKeyBFICGXKLMIEKAZ-UHFFFAOYSA-N
MW701.89 g/mol
LogP13.36
Rot. Bonds6

About CID 172510780

CID 172510780 (PubChem CID 172510780) has the molecular formula C50H41N2O2 and a molecular weight of 701.89 g/mol.

Molecular Properties

Compound NameCID 172510780
PubChem CID172510780
Molecular FormulaC50H41N2O2
Molecular Weight701.89 g/mol
Exact Mass701.32
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1[C](c2cc3c4c(c2)Oc2ccccc2N4c2ccccc2O3)c2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C50H41N2O2/c1-32(2)37-23-17-24-38(33(3)4)48(37)52-47(39-22-11-12-25-40(39)50(52,35-18-7-5-8-19-35)36-20-9-6-10-21-36)34-30-45-49-46(31-34)54-44-29-16-14-27-42(44)51(49)41-26-13-15-28-43(41)53-45/h5-33H,1-4H3
InChIKeyBFICGXKLMIEKAZ-UHFFFAOYSA-N
XLogP13.36
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.89
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 172510816
CID 172510816
11-phenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140893612
11-(4-phenylphenyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(2-phenylphenyl)phenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[4-(3-phenylphenyl)phenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 162167397
CID 172510893
CID 172510893
10-(3,6,9-triphenylfluoren-9-yl)phenoxazine
CID 145009261
5-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)-5-phenylphenyl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 134552129
CID 172510748
CID 172510748
5-(9,9-diphenylacridin-10-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 130417550
18-[3-[3-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-yl)-5-phenylphenyl]phenyl]-14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 67951184
10-(2,6-diphenylphenyl)-3,7-bis(4-phenylphenyl)phenoxazine
CID 140898462
CID 172510653
CID 172510653
3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-N,N-bis(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157154846

Frequently Asked Questions

What is the IUPAC name of CID 172510780?
The IUPAC name of CID 172510780 (CID 172510780) is not available.
What is the SMILES notation for CID 172510780?
The canonical SMILES for CID 172510780 is CC(C)c1cccc(C(C)C)c1N1[C](c2cc3c4c(c2)Oc2ccccc2N4c2ccccc2O3)c2ccccc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 172510780?
The InChIKey is BFICGXKLMIEKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N2O2/c1-32(2)37-23-17-24-38(33(3)4)48(37)52-47(39-22-11-12-25-40(39)50(52,35-18-7-5-8-19-35)36-20-9-6-10-21-36)34-30-45-49-46(31-34)54-44-29-16-14-27-42(44)51(49)41-26-13-15-28-43(41)53-45/h5-33H,1-4H3.
What are the key properties of CID 172510780?
CID 172510780 has a molecular weight of 701.89 g/mol, XLogP of 13.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172510780 is sourced from PubChem (CID 172510780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).