10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene

C47H33N — CID 144741042

IUPAC10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
SMILESCC1(C)c2ccccc2-c2cc3cc4c5ccccc5n(-c5ccc(C6CC=C7c8ccccc8-c8cccc6c87)cc5)c4cc3cc21
InChIInChI=1S/C47H33N/c1-47(2)42-16-7-5-12-35(42)40-24-29-25-41-36-13-6-8-17-44(36)48(45(41)27-30(29)26-43(40)47)31-20-18-28(19-21-31)32-22-23-39-34-11-4-3-10-33(34)38-15-9-14-37(32)46(38)39/h3-21,23-27,32H,22H2,1-2H3
InChIKeyAVGYKKYPNVUZBH-UHFFFAOYSA-N
MW611.79 g/mol
LogP12.19
Rot. Bonds2

About 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene

10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene (PubChem CID 144741042) has the molecular formula C47H33N and a molecular weight of 611.79 g/mol. Its IUPAC name is 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene.

Molecular Properties

Compound Name10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
PubChem CID144741042
Molecular FormulaC47H33N
Molecular Weight611.79 g/mol
Exact Mass611.26
IUPAC Name10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
SMILESCC1(C)c2ccccc2-c2cc3cc4c5ccccc5n(-c5ccc(C6CC=C7c8ccccc8-c8cccc6c87)cc5)c4cc3cc21
InChIInChI=1S/C47H33N/c1-47(2)42-16-7-5-12-35(42)40-24-29-25-41-36-13-6-8-17-44(36)48(45(41)27-30(29)26-43(40)47)31-20-18-28(19-21-31)32-22-23-39-34-11-4-3-10-33(34)38-15-9-14-37(32)46(38)39/h3-21,23-27,32H,22H2,1-2H3
InChIKeyAVGYKKYPNVUZBH-UHFFFAOYSA-N
XLogP12.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene with MolForge

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Related Compounds

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15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502094
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
5-(2,6-dibromo-4-pyridinyl)-11,11-dimethylindeno[1,2-b]carbazole
CID 86664282
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
5-[10-(4-tert-butylphenyl)-9,10-dihydrophenanthren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123682532
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
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15-(4-carbazol-9-ylphenyl)-11,11-dimethyl-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,25,27-tridecaene
CID 163787935

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene?
The IUPAC name of 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene (CID 144741042) is 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene.
What is the SMILES notation for 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene?
The canonical SMILES for 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene is CC1(C)c2ccccc2-c2cc3cc4c5ccccc5n(-c5ccc(C6CC=C7c8ccccc8-c8cccc6c87)cc5)c4cc3cc21.
What is the InChIKey of 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene?
The InChIKey is AVGYKKYPNVUZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N/c1-47(2)42-16-7-5-12-35(42)40-24-29-25-41-36-13-6-8-17-44(36)48(45(41)27-30(29)26-43(40)47)31-20-18-28(19-21-31)32-22-23-39-34-11-4-3-10-33(34)38-15-9-14-37(32)46(38)39/h3-21,23-27,32H,22H2,1-2H3.
What are the key properties of 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene?
10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene has a molecular weight of 611.79 g/mol, XLogP of 12.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,3-dihydrofluoranthen-3-yl)phenyl]-16,16-dimethyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene is sourced from PubChem (CID 144741042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).