7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole]

C50H31N — CID 158397567

IUPAC7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)-c2c(-c3cccc5c3Cc3ccccc3-5)cccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H31N/c1-2-15-32(16-3-1)51-47-27-11-8-20-38(47)41-29-46-42(30-48(41)51)49-39(35-22-12-21-34-33-17-5-4-14-31(33)28-40(34)35)23-13-26-45(49)50(46)43-24-9-6-18-36(43)37-19-7-10-25-44(37)50/h1-27,29-30H,28H2
InChIKeyPZLNMEXQJZXAEC-UHFFFAOYSA-N
MW645.81 g/mol
LogP12.37
Rot. Bonds2

About 7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole]

7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole] (PubChem CID 158397567) has the molecular formula C50H31N and a molecular weight of 645.81 g/mol. Its IUPAC name is 7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole].

Molecular Properties

Compound Name7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole]
PubChem CID158397567
Molecular FormulaC50H31N
Molecular Weight645.81 g/mol
Exact Mass645.25
IUPAC Name7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)-c2c(-c3cccc5c3Cc3ccccc3-5)cccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C50H31N/c1-2-15-32(16-3-1)51-47-27-11-8-20-38(47)41-29-46-42(30-48(41)51)49-39(35-22-12-21-34-33-17-5-4-14-31(33)28-40(34)35)23-13-26-45(49)50(46)43-24-9-6-18-36(43)37-19-7-10-25-44(37)50/h1-27,29-30H,28H2
InChIKeyPZLNMEXQJZXAEC-UHFFFAOYSA-N
XLogP12.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.81
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 156559628
CID 160822287
CID 160822287
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559742
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
5-phenyl-5-azanonacyclo[25.11.0.02,14.04,12.06,11.015,20.021,26.029,37.030,35]octatriaconta-1(27),2(14),3,6,8,10,12,15,17,19,21,23,25,28,30,32,34,37-octadecaene
CID 118655949
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
5-[4-(9H-fluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014713
5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223

Frequently Asked Questions

What is the IUPAC name of 7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
The IUPAC name of 7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole] (CID 158397567) is 7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole].
What is the SMILES notation for 7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
The canonical SMILES for 7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole] is c1ccc(-n2c3ccccc3c3cc4c(cc32)-c2c(-c3cccc5c3Cc3ccccc3-5)cccc2C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
The InChIKey is PZLNMEXQJZXAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N/c1-2-15-32(16-3-1)51-47-27-11-8-20-38(47)41-29-46-42(30-48(41)51)49-39(35-22-12-21-34-33-17-5-4-14-31(33)28-40(34)35)23-13-26-45(49)50(46)43-24-9-6-18-36(43)37-19-7-10-25-44(37)50/h1-27,29-30H,28H2.
What are the key properties of 7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole] has a molecular weight of 645.81 g/mol, XLogP of 12.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(9H-fluoren-1-yl)-5'-phenylspiro[fluorene-9,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 158397567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).