9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole

C50H37N — CID 169039729

IUPAC9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole
SMILESCC1(C)c2ccc(C(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cccc4ccccc34)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C50H37N/c1-50(2)44-30-29-36(32-43(44)49-39(24-14-26-45(49)50)34-15-4-3-5-16-34)48(42-25-13-18-33-17-6-7-21-38(33)42)35-19-12-20-37(31-35)51-46-27-10-8-22-40(46)41-23-9-11-28-47(41)51/h3-32,48H,1-2H3
InChIKeyRNCAADAXNHBBRP-UHFFFAOYSA-N
MW651.85 g/mol
LogP13.09
Rot. Bonds5

About 9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole

9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole (PubChem CID 169039729) has the molecular formula C50H37N and a molecular weight of 651.85 g/mol. Its IUPAC name is 9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole
PubChem CID169039729
Molecular FormulaC50H37N
Molecular Weight651.85 g/mol
Exact Mass651.29
IUPAC Name9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole
SMILESCC1(C)c2ccc(C(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cccc4ccccc34)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C50H37N/c1-50(2)44-30-29-36(32-43(44)49-39(24-14-26-45(49)50)34-15-4-3-5-16-34)48(42-25-13-18-33-17-6-7-21-38(33)42)35-19-12-20-37(31-35)51-46-27-10-8-22-40(46)41-23-9-11-28-47(41)51/h3-32,48H,1-2H3
InChIKeyRNCAADAXNHBBRP-UHFFFAOYSA-N
XLogP13.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.85
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
9-[3-[6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 135298296
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-5-phenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169039615
N-(3-carbazol-9-ylphenyl)-N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)-3-phenylphenyl]naphthalen-1-amine
CID 170665973
9-[3-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163655067
9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole
CID 166895590
9-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166960980
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168788548
3-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794369

Frequently Asked Questions

What is the IUPAC name of 9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole?
The IUPAC name of 9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole (CID 169039729) is 9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole is CC1(C)c2ccc(C(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cccc4ccccc34)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole?
The InChIKey is RNCAADAXNHBBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N/c1-50(2)44-30-29-36(32-43(44)49-39(24-14-26-45(49)50)34-15-4-3-5-16-34)48(42-25-13-18-33-17-6-7-21-38(33)42)35-19-12-20-37(31-35)51-46-27-10-8-22-40(46)41-23-9-11-28-47(41)51/h3-32,48H,1-2H3.
What are the key properties of 9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole?
9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole has a molecular weight of 651.85 g/mol, XLogP of 13.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole is sourced from PubChem (CID 169039729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).